6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one

C101H130Cl5FN24O5 — CID 161216229

IUPAC6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one
SMILESC[C@@H]1CC2(CCN(c3nc(N)c(-c4ccccc4)c(=O)n3C)CC2)[C@H](N)[C@H]1F.C[C@H]1C[C@@H](N)C2(CCN(c3nc(N)c(-c4ccc(Cl)cc4)c(=O)n3C)CC2)C1.Cn1c(N2CCC3(CCC[C@H]3N)CC2)nc(N)c(-c2cccc(Cl)c2Cl)c1=O.Cn1c(N2CCC3(CCC[C@H]3N)CC2)nc(N)c(-c2ccccc2)c1=O.N[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)c(=O)[nH]1)CC2
InChIInChI=1S/C21H28ClN5O.C21H28FN5O.C20H25Cl2N5O.C20H27N5O.C19H22Cl2N4O/c1-13-11-16(23)21(12-13)7-9-27(10-8-21)20-25-18(24)17(19(28)26(20)2)14-3-5-15(22)6-4-14;1-13-12-21(17(23)16(13)22)8-10-27(11-9-21)20-25-18(24)15(19(28)26(20)2)14-6-4-3-5-7-14;1-26-18(28)15(12-4-2-5-13(21)16(12)22)17(24)25-19(26)27-10-8-20(9-11-27)7-3-6-14(20)23;1-24-18(26)16(14-6-3-2-4-7-14)17(22)23-19(24)25-12-10-20(11-13-25)9-5-8-15(20)21;20-14-4-1-3-12(16(14)21)13-11-23-18(24-17(13)26)25-9-7-19(8-10-25)6-2-5-15(19)22/h3-6,13,16H,7-12,23-24H2,1-2H3;3-7,13,16-17H,8-12,23-24H2,1-2H3;2,4-5,14H,3,6-11,23-24H2,1H3;2-4,6-7,15H,5,8-13,21-22H2,1H3;1,3-4,11,15H,2,5-10,22H2,(H,23,24,26)/t13-,16+;13-,16+,17-;14-;2*15-/m01111/s1
InChIKeyUWXBGSNOJSKTII-BFBALIRWSA-N
MW1956.58 g/mol
LogP14.75
Rot. Bonds10

About 6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one

6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one (PubChem CID 161216229) has the molecular formula C101H130Cl5FN24O5 and a molecular weight of 1956.58 g/mol. Its IUPAC name is 6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one
PubChem CID161216229
Molecular FormulaC101H130Cl5FN24O5
Molecular Weight1956.58 g/mol
Exact Mass1952.91
IUPAC Name6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one
SMILESC[C@@H]1CC2(CCN(c3nc(N)c(-c4ccccc4)c(=O)n3C)CC2)[C@H](N)[C@H]1F.C[C@H]1C[C@@H](N)C2(CCN(c3nc(N)c(-c4ccc(Cl)cc4)c(=O)n3C)CC2)C1.Cn1c(N2CCC3(CCC[C@H]3N)CC2)nc(N)c(-c2cccc(Cl)c2Cl)c1=O.Cn1c(N2CCC3(CCC[C@H]3N)CC2)nc(N)c(-c2ccccc2)c1=O.N[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)c(=O)[nH]1)CC2
InChIInChI=1S/C21H28ClN5O.C21H28FN5O.C20H25Cl2N5O.C20H27N5O.C19H22Cl2N4O/c1-13-11-16(23)21(12-13)7-9-27(10-8-21)20-25-18(24)17(19(28)26(20)2)14-3-5-15(22)6-4-14;1-13-12-21(17(23)16(13)22)8-10-27(11-9-21)20-25-18(24)15(19(28)26(20)2)14-6-4-3-5-7-14;1-26-18(28)15(12-4-2-5-13(21)16(12)22)17(24)25-19(26)27-10-8-20(9-11-27)7-3-6-14(20)23;1-24-18(26)16(14-6-3-2-4-7-14)17(22)23-19(24)25-12-10-20(11-13-25)9-5-8-15(20)21;20-14-4-1-3-12(16(14)21)13-11-23-18(24-17(13)26)25-9-7-19(8-10-25)6-2-5-15(19)22/h3-6,13,16H,7-12,23-24H2,1-2H3;3-7,13,16-17H,8-12,23-24H2,1-2H3;2,4-5,14H,3,6-11,23-24H2,1H3;2-4,6-7,15H,5,8-13,21-22H2,1H3;1,3-4,11,15H,2,5-10,22H2,(H,23,24,26)/t13-,16+;13-,16+,17-;14-;2*15-/m01111/s1
InChIKeyUWXBGSNOJSKTII-BFBALIRWSA-N
XLogP14.75
TPSA435.69 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds10
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001956.58
LogP ≤ 514.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Analyze 6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one (CID 161216229) is 6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one is C[C@@H]1CC2(CCN(c3nc(N)c(-c4ccccc4)c(=O)n3C)CC2)[C@H](N)[C@H]1F.C[C@H]1C[C@@H](N)C2(CCN(c3nc(N)c(-c4ccc(Cl)cc4)c(=O)n3C)CC2)C1.Cn1c(N2CCC3(CCC[C@H]3N)CC2)nc(N)c(-c2cccc(Cl)c2Cl)c1=O.Cn1c(N2CCC3(CCC[C@H]3N)CC2)nc(N)c(-c2ccccc2)c1=O.N[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)c(=O)[nH]1)CC2.
What is the InChIKey of 6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one?
The InChIKey is UWXBGSNOJSKTII-BFBALIRWSA-N. The full InChI is InChI=1S/C21H28ClN5O.C21H28FN5O.C20H25Cl2N5O.C20H27N5O.C19H22Cl2N4O/c1-13-11-16(23)21(12-13)7-9-27(10-8-21)20-25-18(24)17(19(28)26(20)2)14-3-5-15(22)6-4-14;1-13-12-21(17(23)16(13)22)8-10-27(11-9-21)20-25-18(24)15(19(28)26(20)2)14-6-4-3-5-7-14;1-26-18(28)15(12-4-2-5-13(21)16(12)22)17(24)25-19(26)27-10-8-20(9-11-27)7-3-6-14(20)23;1-24-18(26)16(14-6-3-2-4-7-14)17(22)23-19(24)25-12-10-20(11-13-25)9-5-8-15(20)21;20-14-4-1-3-12(16(14)21)13-11-23-18(24-17(13)26)25-9-7-19(8-10-25)6-2-5-15(19)22/h3-6,13,16H,7-12,23-24H2,1-2H3;3-7,13,16-17H,8-12,23-24H2,1-2H3;2,4-5,14H,3,6-11,23-24H2,1H3;2-4,6-7,15H,5,8-13,21-22H2,1H3;1,3-4,11,15H,2,5-10,22H2,(H,23,24,26)/t13-,16+;13-,16+,17-;14-;2*15-/m01111/s1.
What are the key properties of 6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one?
6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one has a molecular weight of 1956.58 g/mol, XLogP of 14.75, 10 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,3S,4S)-4-amino-3-fluoro-2-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one;6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chlorophenyl)-3-methylpyrimidin-4-one;2-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-5-(2,3-dichlorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 161216229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).