3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine

C21H25ClN6S — CID 139427326

IUPAC3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
SMILESCC1CCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)CC2)C1
InChIInChI=1S/C21H25ClN6S/c1-14-2-4-21(12-14)5-9-27(10-6-21)20-26-13-16(19-25-8-11-28(19)20)29-15-3-7-24-18(23)17(15)22/h3,7-8,11,13-14H,2,4-6,9-10,12H2,1H3,(H2,23,24)
InChIKeyMLSNUJFSYDEMOO-UHFFFAOYSA-N
MW428.99 g/mol
LogP4.92
Rot. Bonds3

About 3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine

3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine (PubChem CID 139427326) has the molecular formula C21H25ClN6S and a molecular weight of 428.99 g/mol. Its IUPAC name is 3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
PubChem CID139427326
Molecular FormulaC21H25ClN6S
Molecular Weight428.99 g/mol
Exact Mass428.15
IUPAC Name3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
SMILESCC1CCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)CC2)C1
InChIInChI=1S/C21H25ClN6S/c1-14-2-4-21(12-14)5-9-27(10-6-21)20-26-13-16(19-25-8-11-28(19)20)29-15-3-7-24-18(23)17(15)22/h3,7-8,11,13-14H,2,4-6,9-10,12H2,1H3,(H2,23,24)
InChIKeyMLSNUJFSYDEMOO-UHFFFAOYSA-N
XLogP4.92
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.99
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 155129621
3-chloro-4-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 146482706
3-chloro-4-[5-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine
CID 170184863
1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol
CID 155448000
(3S)-8-[8-[(2,3-dichloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
CID 139427196
8-[8-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decane
CID 139427338
(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine
CID 155591726
9-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-5-amine
CID 171782764
CID 174094860
CID 174094860
(5S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-4-deuteriospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169008435
(5S)-2-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-1,3,4,5-tetrahydro-2-benzazepin-5-amine
CID 175728623
8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-[2-methyl-2-[(S)-methylsulfinyl]propyl]-8-azaspiro[4.5]decane
CID 139427855

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?
The IUPAC name of 3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine (CID 139427326) is 3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine.
What is the SMILES notation for 3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?
The canonical SMILES for 3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine is CC1CCC2(CCN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)CC2)C1.
What is the InChIKey of 3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?
The InChIKey is MLSNUJFSYDEMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6S/c1-14-2-4-21(12-14)5-9-27(10-6-21)20-26-13-16(19-25-8-11-28(19)20)29-15-3-7-24-18(23)17(15)22/h3,7-8,11,13-14H,2,4-6,9-10,12H2,1H3,(H2,23,24).
What are the key properties of 3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine?
3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine has a molecular weight of 428.99 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[5-(3-methyl-8-azaspiro[4.5]decan-8-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine is sourced from PubChem (CID 139427326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).