2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one

C9H6ClN3OS — CID 63588626

IUPAC2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(Sc2cccc(Cl)n2)[nH]1
InChIInChI=1S/C9H6ClN3OS/c10-6-2-1-3-8(12-6)15-9-11-5-4-7(14)13-9/h1-5H,(H,11,13,14)
InChIKeyUYFUKNLWPPCULR-UHFFFAOYSA-N
MW239.69 g/mol
LogP1.97
Rot. Bonds2

About 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one

2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one (PubChem CID 63588626) has the molecular formula C9H6ClN3OS and a molecular weight of 239.69 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
PubChem CID63588626
Molecular FormulaC9H6ClN3OS
Molecular Weight239.69 g/mol
Exact Mass238.99
IUPAC Name2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc(Sc2cccc(Cl)n2)[nH]1
InChIInChI=1S/C9H6ClN3OS/c10-6-2-1-3-8(12-6)15-9-11-5-4-7(14)13-9/h1-5H,(H,11,13,14)
InChIKeyUYFUKNLWPPCULR-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 136021896
CID 136021896
CID 136287120
CID 136287120
CID 136294446
CID 136294446
CID 61229956
CID 61229956
CID 79734047
CID 79734047
CID 108362860
CID 108362860
CID 113728184
CID 113728184
CID 136203938
CID 136203938
CID 136287122
CID 136287122
CID 136287125
CID 136287125
CID 136897082
CID 136897082
CID 136897083
CID 136897083

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one (CID 63588626) is 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one is O=c1ccnc(Sc2cccc(Cl)n2)[nH]1.
What is the InChIKey of 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one?
The InChIKey is UYFUKNLWPPCULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3OS/c10-6-2-1-3-8(12-6)15-9-11-5-4-7(14)13-9/h1-5H,(H,11,13,14).
What are the key properties of 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one?
2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one has a molecular weight of 239.69 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 63588626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).