6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one

C20H25ClN4O — CID 145210123

IUPAC6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one
SMILESCn1c(N2CCC3(CCCC3)CC2)nc(N)c(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H25ClN4O/c1-24-18(26)16(14-4-6-15(21)7-5-14)17(22)23-19(24)25-12-10-20(11-13-25)8-2-3-9-20/h4-7H,2-3,8-13,22H2,1H3
InChIKeyXBSZKXKGMBSMMT-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.84
Rot. Bonds2

About 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one

6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one (PubChem CID 145210123) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one
PubChem CID145210123
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one
SMILESCn1c(N2CCC3(CCCC3)CC2)nc(N)c(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C20H25ClN4O/c1-24-18(26)16(14-4-6-15(21)7-5-14)17(22)23-19(24)25-12-10-20(11-13-25)8-2-3-9-20/h4-7H,2-3,8-13,22H2,1H3
InChIKeyXBSZKXKGMBSMMT-UHFFFAOYSA-N
XLogP3.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-(8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-one
CID 145210112
6-amino-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one
CID 145209962
6-amino-5-(4-cyclopropyloxyphenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
CID 145209941
6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(4-chloro-3-fluorophenyl)-3-methylpyrimidin-4-one
CID 159329948
6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one
CID 145210053
6-amino-5-[4-(2-methoxyethoxy)phenyl]-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
CID 145210093
6-amino-5-(2-chlorophenyl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
CID 145210047
6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-methylsulfanylphenyl)pyrimidin-4-one
CID 159276312
6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-phenylmethoxyphenyl)pyrimidin-4-one
CID 159329950
6-amino-2-(4,4-dimethylpiperidin-1-yl)-5-iodo-3-methylpyrimidin-4-one
CID 175053872
6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 145210095
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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one?
The IUPAC name of 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one (CID 145210123) is 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one is Cn1c(N2CCC3(CCCC3)CC2)nc(N)c(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one?
The InChIKey is XBSZKXKGMBSMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-24-18(26)16(14-4-6-15(21)7-5-14)17(22)23-19(24)25-12-10-20(11-13-25)8-2-3-9-20/h4-7H,2-3,8-13,22H2,1H3.
What are the key properties of 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one?
6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one has a molecular weight of 372.90 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 145210123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).