5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine

C100H135Cl5N32O20S5 — CID 158723036

IUPAC5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine
SMILESCc1ccc(S(=O)(=O)CC2COC3C(Nc4nc(Nc5cnn(C)c5)ncc4Cl)COC23)cc1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C(CS(=O)(=O)CC(C)(C)C)COC34)n2)cn1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C(CS(=O)(=O)N5CCCC5)COC34)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@H]3COC4C3OC[C@H]4CS(=O)(=O)CC(C)(C)C)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@H]3COC4C3OC[C@H]4CS(=O)(=O)N3CCCC3)n2)cn1
InChIInChI=1S/C22H25ClN6O4S.2C20H29ClN6O4S.2C19H26ClN7O4S/c1-13-3-5-16(6-4-13)34(30,31)12-14-10-32-20-18(11-33-19(14)20)27-21-17(23)8-24-22(28-21)26-15-7-25-29(2)9-15;2*1-20(2,3)11-32(28,29)10-12-8-30-17-15(9-31-16(12)17)25-18-14(21)6-22-19(26-18)24-13-5-23-27(4)7-13;2*1-26-8-13(6-22-26)23-19-21-7-14(20)18(25-19)24-15-10-31-16-12(9-30-17(15)16)11-32(28,29)27-4-2-3-5-27/h3-9,14,18-20H,10-12H2,1-2H3,(H2,24,26,27,28);2*5-7,12,15-17H,8-11H2,1-4H3,(H2,22,24,25,26);2*6-8,12,15-17H,2-5,9-11H2,1H3,(H2,21,23,24,25)/t;12-,15-,16?,17?;;12-,15-,16?,17?;/m.0.0./s1
InChIKeyIKDROUFGACUMLZ-AYFHLQBNSA-N
MW2442.98 g/mol
LogP9.56
Rot. Bonds35

About 5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine

5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine (PubChem CID 158723036) has the molecular formula C100H135Cl5N32O20S5 and a molecular weight of 2442.98 g/mol. Its IUPAC name is 5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine
PubChem CID158723036
Molecular FormulaC100H135Cl5N32O20S5
Molecular Weight2442.98 g/mol
Exact Mass2438.76
IUPAC Name5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine
SMILESCc1ccc(S(=O)(=O)CC2COC3C(Nc4nc(Nc5cnn(C)c5)ncc4Cl)COC23)cc1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C(CS(=O)(=O)CC(C)(C)C)COC34)n2)cn1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C(CS(=O)(=O)N5CCCC5)COC34)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@H]3COC4C3OC[C@H]4CS(=O)(=O)CC(C)(C)C)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@H]3COC4C3OC[C@H]4CS(=O)(=O)N3CCCC3)n2)cn1
InChIInChI=1S/C22H25ClN6O4S.2C20H29ClN6O4S.2C19H26ClN7O4S/c1-13-3-5-16(6-4-13)34(30,31)12-14-10-32-20-18(11-33-19(14)20)27-21-17(23)8-24-22(28-21)26-15-7-25-29(2)9-15;2*1-20(2,3)11-32(28,29)10-12-8-30-17-15(9-31-16(12)17)25-18-14(21)6-22-19(26-18)24-13-5-23-27(4)7-13;2*1-26-8-13(6-22-26)23-19-21-7-14(20)18(25-19)24-15-10-31-16-12(9-30-17(15)16)11-32(28,29)27-4-2-3-5-27/h3-9,14,18-20H,10-12H2,1-2H3,(H2,24,26,27,28);2*5-7,12,15-17H,8-11H2,1-4H3,(H2,22,24,25,26);2*6-8,12,15-17H,2-5,9-11H2,1H3,(H2,21,23,24,25)/t;12-,15-,16?,17?;;12-,15-,16?,17?;/m.0.0./s1
InChIKeyIKDROUFGACUMLZ-AYFHLQBNSA-N
XLogP9.56
TPSA607.78 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds35
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002442.98
LogP ≤ 59.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Analyze 5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine (CID 158723036) is 5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine is Cc1ccc(S(=O)(=O)CC2COC3C(Nc4nc(Nc5cnn(C)c5)ncc4Cl)COC23)cc1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C(CS(=O)(=O)CC(C)(C)C)COC34)n2)cn1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C(CS(=O)(=O)N5CCCC5)COC34)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@H]3COC4C3OC[C@H]4CS(=O)(=O)CC(C)(C)C)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@H]3COC4C3OC[C@H]4CS(=O)(=O)N3CCCC3)n2)cn1.
What is the InChIKey of 5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
The InChIKey is IKDROUFGACUMLZ-AYFHLQBNSA-N. The full InChI is InChI=1S/C22H25ClN6O4S.2C20H29ClN6O4S.2C19H26ClN7O4S/c1-13-3-5-16(6-4-13)34(30,31)12-14-10-32-20-18(11-33-19(14)20)27-21-17(23)8-24-22(28-21)26-15-7-25-29(2)9-15;2*1-20(2,3)11-32(28,29)10-12-8-30-17-15(9-31-16(12)17)25-18-14(21)6-22-19(26-18)24-13-5-23-27(4)7-13;2*1-26-8-13(6-22-26)23-19-21-7-14(20)18(25-19)24-15-10-31-16-12(9-30-17(15)16)11-32(28,29)27-4-2-3-5-27/h3-9,14,18-20H,10-12H2,1-2H3,(H2,24,26,27,28);2*5-7,12,15-17H,8-11H2,1-4H3,(H2,22,24,25,26);2*6-8,12,15-17H,2-5,9-11H2,1H3,(H2,21,23,24,25)/t;12-,15-,16?,17?;;12-,15-,16?,17?;/m.0.0./s1.
What are the key properties of 5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine has a molecular weight of 2442.98 g/mol, XLogP of 9.56, 35 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[(3R,6S)-3-(2,2-dimethylpropylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-[(4-methylphenyl)sulfonylmethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3R,6S)-3-(pyrrolidin-1-ylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158723036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).