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

C17H17ClN6S — CID 170184863

IUPAC3-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
SMILESCC1[C@H]2CN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)C[C@@H]12
InChIInChI=1S/C17H17ClN6S/c1-9-10-7-23(8-11(9)10)17-22-6-13(16-21-4-5-24(16)17)25-12-2-3-20-15(19)14(12)18/h2-6,9-11H,7-8H2,1H3,(H2,19,20)/t9?,10-,11+
InChIKeyURDKSJNNCWJBRO-FGWVZKOKSA-N
MW372.89 g/mol
LogP3.21
Rot. Bonds3

About 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

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 (PubChem CID 170184863) has the molecular formula C17H17ClN6S and a molecular weight of 372.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID170184863
Molecular FormulaC17H17ClN6S
Molecular Weight372.89 g/mol
Exact Mass372.09
IUPAC Name3-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
SMILESCC1[C@H]2CN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)C[C@@H]12
InChIInChI=1S/C17H17ClN6S/c1-9-10-7-23(8-11(9)10)17-22-6-13(16-21-4-5-24(16)17)25-12-2-3-20-15(19)14(12)18/h2-6,9-11H,7-8H2,1H3,(H2,19,20)/t9?,10-,11+
InChIKeyURDKSJNNCWJBRO-FGWVZKOKSA-N
XLogP3.21
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol
CID 155448000
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
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
(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
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
(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
[(2S)-1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;sulfane
CID 158816989
CID 174094860
CID 174094860
(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
(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
N'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]ethane-1,2-diamine
CID 154636583

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1[C@H]2CN(c3ncc(Sc4ccnc(N)c4Cl)c4nccn34)C[C@@H]12.
What is the InChIKey of 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?
The InChIKey is URDKSJNNCWJBRO-FGWVZKOKSA-N. The full InChI is InChI=1S/C17H17ClN6S/c1-9-10-7-23(8-11(9)10)17-22-6-13(16-21-4-5-24(16)17)25-12-2-3-20-15(19)14(12)18/h2-6,9-11H,7-8H2,1H3,(H2,19,20)/t9?,10-,11+.
What are the key properties of 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?
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 has a molecular weight of 372.89 g/mol, XLogP of 3.21, 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-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]imidazo[1,2-c]pyrimidin-8-yl]sulfanylpyridin-2-amine is sourced from PubChem (CID 170184863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).