1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol

C14H13ClN6OS — CID 155448000

IUPAC1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol
SMILESNc1nccc(Sc2cnc(N3CC(O)C3)n3ccnc23)c1Cl
InChIInChI=1S/C14H13ClN6OS/c15-11-9(1-2-17-12(11)16)23-10-5-19-14(20-6-8(22)7-20)21-4-3-18-13(10)21/h1-5,8,22H,6-7H2,(H2,16,17)
InChIKeyADZHQFSTGKLFOU-UHFFFAOYSA-N
MW348.82 g/mol
LogP1.69
Rot. Bonds3

About 1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol

1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol (PubChem CID 155448000) has the molecular formula C14H13ClN6OS and a molecular weight of 348.82 g/mol. Its IUPAC name is 1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol
PubChem CID155448000
Molecular FormulaC14H13ClN6OS
Molecular Weight348.82 g/mol
Exact Mass348.06
IUPAC Name1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol
SMILESNc1nccc(Sc2cnc(N3CC(O)C3)n3ccnc23)c1Cl
InChIInChI=1S/C14H13ClN6OS/c15-11-9(1-2-17-12(11)16)23-10-5-19-14(20-6-8(22)7-20)21-4-3-18-13(10)21/h1-5,8,22H,6-7H2,(H2,16,17)
InChIKeyADZHQFSTGKLFOU-UHFFFAOYSA-N
XLogP1.69
TPSA92.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.82
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol?
The IUPAC name of 1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol (CID 155448000) is 1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol.
What is the SMILES notation for 1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol?
The canonical SMILES for 1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol is Nc1nccc(Sc2cnc(N3CC(O)C3)n3ccnc23)c1Cl.
What is the InChIKey of 1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol?
The InChIKey is ADZHQFSTGKLFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6OS/c15-11-9(1-2-17-12(11)16)23-10-5-19-14(20-6-8(22)7-20)21-4-3-18-13(10)21/h1-5,8,22H,6-7H2,(H2,16,17).
What are the key properties of 1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol?
1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol has a molecular weight of 348.82 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol is sourced from PubChem (CID 155448000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).