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

C24H33N5O3 — CID 145209962

IUPAC6-amino-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one
SMILESC[C@H]1CC2(CCN(c3nc(N)c(-c4ccc(N5CCOCC5)cc4)c(=O)n3C)CC2)CO1
InChIInChI=1S/C24H33N5O3/c1-17-15-24(16-32-17)7-9-29(10-8-24)23-26-21(25)20(22(30)27(23)2)18-3-5-19(6-4-18)28-11-13-31-14-12-28/h3-6,17H,7-16,25H2,1-2H3/t17-/m0/s1
InChIKeyKMJCKUFDQUYPFC-KRWDZBQOSA-N
MW439.56 g/mol
LogP2.26
Rot. Bonds3

About 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

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 (PubChem CID 145209962) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-amino-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one
PubChem CID145209962
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name6-amino-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one
SMILESC[C@H]1CC2(CCN(c3nc(N)c(-c4ccc(N5CCOCC5)cc4)c(=O)n3C)CC2)CO1
InChIInChI=1S/C24H33N5O3/c1-17-15-24(16-32-17)7-9-29(10-8-24)23-26-21(25)20(22(30)27(23)2)18-3-5-19(6-4-18)28-11-13-31-14-12-28/h3-6,17H,7-16,25H2,1-2H3/t17-/m0/s1
InChIKeyKMJCKUFDQUYPFC-KRWDZBQOSA-N
XLogP2.26
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-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-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one
CID 145210123
6-imino-1-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(4-phenoxyphenyl)pyrimidin-4-amine
CID 155002554
6-amino-5-(2-chloro-3-methoxyphenyl)sulfanyl-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
CID 135230949
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-(8-azaspiro[4.5]decan-8-yl)-3-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]pyrimidin-4-one
CID 145210112
6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 145210095
2-N,6-difluoro-5-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 89406605
6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one
CID 159118741
5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 175618816

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1CC2(CCN(c3nc(N)c(-c4ccc(N5CCOCC5)cc4)c(=O)n3C)CC2)CO1.
What is the InChIKey of 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?
The InChIKey is KMJCKUFDQUYPFC-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-17-15-24(16-32-17)7-9-29(10-8-24)23-26-21(25)20(22(30)27(23)2)18-3-5-19(6-4-18)28-11-13-31-14-12-28/h3-6,17H,7-16,25H2,1-2H3/t17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 439.56 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145209962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).