4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine

C17H20ClN7S — CID 139427576

IUPAC4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine
SMILESCC1(N)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nccn23)CC1
InChIInChI=1S/C17H20ClN7S/c1-17(20)3-7-24(8-4-17)16-23-10-12(15-22-6-9-25(15)16)26-11-2-5-21-14(19)13(11)18/h2,5-6,9-10H,3-4,7-8,20H2,1H3,(H2,19,21)
InChIKeyABPRMEHIXGOXJZ-UHFFFAOYSA-N
MW389.92 g/mol
LogP2.83
Rot. Bonds3

About 4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine

4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine (PubChem CID 139427576) has the molecular formula C17H20ClN7S and a molecular weight of 389.92 g/mol. Its IUPAC name is 4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine.

Molecular Properties

Compound Name4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine
PubChem CID139427576
Molecular FormulaC17H20ClN7S
Molecular Weight389.92 g/mol
Exact Mass389.12
IUPAC Name4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine
SMILESCC1(N)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nccn23)CC1
InChIInChI=1S/C17H20ClN7S/c1-17(20)3-7-24(8-4-17)16-23-10-12(15-22-6-9-25(15)16)26-11-2-5-21-14(19)13(11)18/h2,5-6,9-10H,3-4,7-8,20H2,1H3,(H2,19,21)
InChIKeyABPRMEHIXGOXJZ-UHFFFAOYSA-N
XLogP2.83
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.92
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-amine
CID 139356973
(4R)-8-[8-[3-(trifluoromethyl)pyridin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427701
(R)-8-(8-((3-chloro-2-fluoropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427716
US11179397, Example 53
CID 146466864
US11179397, Example 17
CID 146466996
(4R)-8-[8-(6-amino-2,3-dichloropyridin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 153334931
(4R)-8-[8-(6-amino-3-chloro-2-methylpyridin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 153334932
US11179397, Example 31
CID 139427543
4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloropyridin-2-amine
CID 134474224
4-[2-(4-Amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 146485656
4-Methyl-1-[1-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
CID 155796580
4-Methyl-1-[3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[4,5-b]pyrazin-2-yl]piperidin-4-amine
CID 155796616

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine?
The IUPAC name of 4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine (CID 139427576) is 4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine.
What is the SMILES notation for 4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine?
The canonical SMILES for 4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine is CC1(N)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nccn23)CC1.
What is the InChIKey of 4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine?
The InChIKey is ABPRMEHIXGOXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7S/c1-17(20)3-7-24(8-4-17)16-23-10-12(15-22-6-9-25(15)16)26-11-2-5-21-14(19)13(11)18/h2,5-6,9-10H,3-4,7-8,20H2,1H3,(H2,19,21).
What are the key properties of 4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine?
4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine has a molecular weight of 389.92 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-4-methylpiperidin-1-yl)imidazo[1,2-c]pyrimidin-8-yl]sulfanyl-3-chloropyridin-2-amine is sourced from PubChem (CID 139427576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).