5-chloro-4-N-[3-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine

C90H115Cl5N32O18S4 — CID 158266695

IUPAC5-chloro-4-N-[3-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine
SMILESCCS(=O)(=O)CC1COC2C(Nc3nc(Nc4cnn(C)c4)ncc3Cl)COC12.CCS(=O)(=O)C[C@@H]1COC2C1OC[C@@H]2Nc1nc(Nc2cnn(C)c2)ncc1Cl.Cc1ccc(C[C@H]2COC3C2OC[C@H]3Nc2nc(Nc3cnn(C)c3)ncc2Cl)nn1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C(CS(=O)(=O)C5CC5)COC34)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4CS(=O)(=O)C3CC3)n2)cn1
InChIInChI=1S/C20H23ClN8O2.2C18H23ClN6O4S.2C17H23ClN6O4S/c1-11-3-4-13(28-27-11)5-12-9-30-18-16(10-31-17(12)18)25-19-15(21)7-22-20(26-19)24-14-6-23-29(2)8-14;2*1-25-6-11(4-21-25)22-18-20-5-13(19)17(24-18)23-14-8-29-15-10(7-28-16(14)15)9-30(26,27)12-2-3-12;2*1-3-29(25,26)9-10-7-27-15-13(8-28-14(10)15)22-16-12(18)5-19-17(23-16)21-11-4-20-24(2)6-11/h3-4,6-8,12,16-18H,5,9-10H2,1-2H3,(H2,22,24,25,26);2*4-6,10,12,14-16H,2-3,7-9H2,1H3,(H2,20,22,23,24);2*4-6,10,13-15H,3,7-9H2,1-2H3,(H2,19,21,22,23)/t12-,16+,17?,18?;10-,14-,15?,16?;;10-,13-,14?,15?;/m01.0./s1
InChIKeyGINMMTQEDSTLFM-WVFYGVJRSA-N
MW2238.65 g/mol
LogP7.37
Rot. Bonds34

About 5-chloro-4-N-[3-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine

5-chloro-4-N-[3-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine (PubChem CID 158266695) has the molecular formula C90H115Cl5N32O18S4 and a molecular weight of 2238.65 g/mol. Its IUPAC name is 5-chloro-4-N-[3-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-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-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine
PubChem CID158266695
Molecular FormulaC90H115Cl5N32O18S4
Molecular Weight2238.65 g/mol
Exact Mass2234.64
IUPAC Name5-chloro-4-N-[3-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine
SMILESCCS(=O)(=O)CC1COC2C(Nc3nc(Nc4cnn(C)c4)ncc3Cl)COC12.CCS(=O)(=O)C[C@@H]1COC2C1OC[C@@H]2Nc1nc(Nc2cnn(C)c2)ncc1Cl.Cc1ccc(C[C@H]2COC3C2OC[C@H]3Nc2nc(Nc3cnn(C)c3)ncc2Cl)nn1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C(CS(=O)(=O)C5CC5)COC34)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4CS(=O)(=O)C3CC3)n2)cn1
InChIInChI=1S/C20H23ClN8O2.2C18H23ClN6O4S.2C17H23ClN6O4S/c1-11-3-4-13(28-27-11)5-12-9-30-18-16(10-31-17(12)18)25-19-15(21)7-22-20(26-19)24-14-6-23-29(2)8-14;2*1-25-6-11(4-21-25)22-18-20-5-13(19)17(24-18)23-14-8-29-15-10(7-28-16(14)15)9-30(26,27)12-2-3-12;2*1-3-29(25,26)9-10-7-27-15-13(8-28-14(10)15)22-16-12(18)5-19-17(23-16)21-11-4-20-24(2)6-11/h3-4,6-8,12,16-18H,5,9-10H2,1-2H3,(H2,22,24,25,26);2*4-6,10,12,14-16H,2-3,7-9H2,1H3,(H2,20,22,23,24);2*4-6,10,13-15H,3,7-9H2,1-2H3,(H2,19,21,22,23)/t12-,16+,17?,18?;10-,14-,15?,16?;;10-,13-,14?,15?;/m01.0./s1
InChIKeyGINMMTQEDSTLFM-WVFYGVJRSA-N
XLogP7.37
TPSA592.94 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds34
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002238.65
LogP ≤ 57.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Analyze 5-chloro-4-N-[3-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-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-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-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-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine (CID 158266695) is 5-chloro-4-N-[3-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-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-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-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-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine is CCS(=O)(=O)CC1COC2C(Nc3nc(Nc4cnn(C)c4)ncc3Cl)COC12.CCS(=O)(=O)C[C@@H]1COC2C1OC[C@@H]2Nc1nc(Nc2cnn(C)c2)ncc1Cl.Cc1ccc(C[C@H]2COC3C2OC[C@H]3Nc2nc(Nc3cnn(C)c3)ncc2Cl)nn1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C(CS(=O)(=O)C5CC5)COC34)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4CS(=O)(=O)C3CC3)n2)cn1.
What is the InChIKey of 5-chloro-4-N-[3-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
The InChIKey is GINMMTQEDSTLFM-WVFYGVJRSA-N. The full InChI is InChI=1S/C20H23ClN8O2.2C18H23ClN6O4S.2C17H23ClN6O4S/c1-11-3-4-13(28-27-11)5-12-9-30-18-16(10-31-17(12)18)25-19-15(21)7-22-20(26-19)24-14-6-23-29(2)8-14;2*1-25-6-11(4-21-25)22-18-20-5-13(19)17(24-18)23-14-8-29-15-10(7-28-16(14)15)9-30(26,27)12-2-3-12;2*1-3-29(25,26)9-10-7-27-15-13(8-28-14(10)15)22-16-12(18)5-19-17(23-16)21-11-4-20-24(2)6-11/h3-4,6-8,12,16-18H,5,9-10H2,1-2H3,(H2,22,24,25,26);2*4-6,10,12,14-16H,2-3,7-9H2,1H3,(H2,20,22,23,24);2*4-6,10,13-15H,3,7-9H2,1-2H3,(H2,19,21,22,23)/t12-,16+,17?,18?;10-,14-,15?,16?;;10-,13-,14?,15?;/m01.0./s1.
What are the key properties of 5-chloro-4-N-[3-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
5-chloro-4-N-[3-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine has a molecular weight of 2238.65 g/mol, XLogP of 7.37, 34 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-(cyclopropylsulfonylmethyl)-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-[(3S,6R)-3-(cyclopropylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-(ethylsulfonylmethyl)-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-[(3S,6R)-3-[(6-methylpyridazin-3-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158266695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).