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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).