6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one

C23H31ClN6OS — CID 145210053

IUPAC6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one
SMILESCn1c(N2CCC3(CCCC3)CC2)nc(N)c(Sc2ccnc(N3CCCC3)c2Cl)c1=O
InChIInChI=1S/C23H31ClN6OS/c1-28-21(31)18(32-16-6-11-26-20(17(16)24)29-12-4-5-13-29)19(25)27-22(28)30-14-9-23(10-15-30)7-2-3-8-23/h6,11H,2-5,7-10,12-15,25H2,1H3
InChIKeyNFHAGFWKVZTQAE-UHFFFAOYSA-N
MW475.06 g/mol
LogP4.32
Rot. Bonds4

About 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one

6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one (PubChem CID 145210053) has the molecular formula C23H31ClN6OS and a molecular weight of 475.06 g/mol. Its IUPAC name is 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one
PubChem CID145210053
Molecular FormulaC23H31ClN6OS
Molecular Weight475.06 g/mol
Exact Mass474.20
IUPAC Name6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one
SMILESCn1c(N2CCC3(CCCC3)CC2)nc(N)c(Sc2ccnc(N3CCCC3)c2Cl)c1=O
InChIInChI=1S/C23H31ClN6OS/c1-28-21(31)18(32-16-6-11-26-20(17(16)24)29-12-4-5-13-29)19(25)27-22(28)30-14-9-23(10-15-30)7-2-3-8-23/h6,11H,2-5,7-10,12-15,25H2,1H3
InChIKeyNFHAGFWKVZTQAE-UHFFFAOYSA-N
XLogP4.32
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.06
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methylpyrimidin-4-one
CID 146537294
6-amino-2-[4-(2-aminoethyl)piperazin-1-yl]-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one
CID 166465067
6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one
CID 155002547
6-amino-5-(2-chloro-3-methylphenyl)sulfanyl-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 155002575
6-amino-5-[(2-methoxy-3-methyl-4-pyridinyl)sulfanyl]-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 155002582
6-amino-5-(2,3-dichlorophenyl)sulfanyl-3-methyl-2-piperazin-1-ylpyrimidin-4-one
CID 166465088
6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-(4-chlorophenyl)-3-methylpyrimidin-4-one
CID 145210123
6-amino-2-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-5-[(2-chloro-3-methyl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one
CID 158828142
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-[4-(2-aminoethyl)piperazin-1-yl]-5-(2,3-dichlorophenyl)sulfanyl-3-methylpyrimidin-4-one
CID 166465184
6-[4-amino-2-(4,4-dimethylpiperidin-1-yl)-1-methyl-6-oxopyrimidin-5-yl]sulfanyl-5-chloro-3-phenylquinazolin-4-one
CID 174364123
6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-3-methylphenyl)sulfanyl-3-methylpyrimidin-4-one
CID 159098812

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one?
The IUPAC name of 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) is 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one?
The canonical SMILES for 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one is Cn1c(N2CCC3(CCCC3)CC2)nc(N)c(Sc2ccnc(N3CCCC3)c2Cl)c1=O.
What is the InChIKey of 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one?
The InChIKey is NFHAGFWKVZTQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN6OS/c1-28-21(31)18(32-16-6-11-26-20(17(16)24)29-12-4-5-13-29)19(25)27-22(28)30-14-9-23(10-15-30)7-2-3-8-23/h6,11H,2-5,7-10,12-15,25H2,1H3.
What are the key properties of 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one?
6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one has a molecular weight of 475.06 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(8-azaspiro[4.5]decan-8-yl)-5-[(3-chloro-2-pyrrolidin-1-yl-4-pyridinyl)sulfanyl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 145210053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).