4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine

C12H10ClN5OS — CID 80735327

IUPAC4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCOc1ccc2nc(Sc3cc(Cl)nc(N)n3)[nH]c2c1
InChIInChI=1S/C12H10ClN5OS/c1-19-6-2-3-7-8(4-6)16-12(15-7)20-10-5-9(13)17-11(14)18-10/h2-5H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyWAZHDYFPPDZHLU-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.75
Rot. Bonds3

About 4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine

4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine (PubChem CID 80735327) has the molecular formula C12H10ClN5OS and a molecular weight of 307.77 g/mol. Its IUPAC name is 4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine
PubChem CID80735327
Molecular FormulaC12H10ClN5OS
Molecular Weight307.77 g/mol
Exact Mass307.03
IUPAC Name4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine
SMILESCOc1ccc2nc(Sc3cc(Cl)nc(N)n3)[nH]c2c1
InChIInChI=1S/C12H10ClN5OS/c1-19-6-2-3-7-8(4-6)16-12(15-7)20-10-5-9(13)17-11(14)18-10/h2-5H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyWAZHDYFPPDZHLU-UHFFFAOYSA-N
XLogP2.75
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-6-methoxy-1H-benzimidazole
CID 62482154
2-[(6-fluoro-2-pyridinyl)sulfanyl]-6-methoxy-1H-benzimidazole
CID 61228416
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 134065477
[3-chloro-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 63087024
2-[(6-chloropyridazin-3-yl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 104514315
2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
CID 80640192
(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63812775
3-amino-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 43518360
2-[(4-chloro-2-pyridinyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 79245493
[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]methanol
CID 80651608
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-4-methoxy-N,N-dimethylaniline
CID 19866646
2-(6-chloropyridazin-3-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 43260467

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine (CID 80735327) is 4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine is COc1ccc2nc(Sc3cc(Cl)nc(N)n3)[nH]c2c1.
What is the InChIKey of 4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine?
The InChIKey is WAZHDYFPPDZHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5OS/c1-19-6-2-3-7-8(4-6)16-12(15-7)20-10-5-9(13)17-11(14)18-10/h2-5H,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine?
4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine has a molecular weight of 307.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 80735327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).