4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine

C10H8ClFN4S — CID 80891170

IUPAC4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ncccc2Cl)n1
InChIInChI=1S/C10H8ClFN4S/c1-13-10-15-5-7(12)9(16-10)17-8-6(11)3-2-4-14-8/h2-5H,1H3,(H,13,15,16)
InChIKeyVNQVWYFSSHDSOE-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.86
Rot. Bonds3

About 4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine

4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80891170) has the molecular formula C10H8ClFN4S and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80891170
Molecular FormulaC10H8ClFN4S
Molecular Weight270.72 g/mol
Exact Mass270.01
IUPAC Name4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2ncccc2Cl)n1
InChIInChI=1S/C10H8ClFN4S/c1-13-10-15-5-7(12)9(16-10)17-8-6(11)3-2-4-14-8/h2-5H,1H3,(H,13,15,16)
InChIKeyVNQVWYFSSHDSOE-UHFFFAOYSA-N
XLogP2.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine
CID 79075598
5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80883253
4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80893618
5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80890508
4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80886788
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890630
3-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80891867
2,3,5-trichloro-6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine
CID 102752380
5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886316
4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine
CID 113324753
5-bromo-4-(2-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884178
[4-(4-chlorophenyl)sulfanyl-5-fluoropyrimidin-2-yl]hydrazine
CID 80924960

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine (CID 80891170) is 4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(Sc2ncccc2Cl)n1.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is VNQVWYFSSHDSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4S/c1-13-10-15-5-7(12)9(16-10)17-8-6(11)3-2-4-14-8/h2-5H,1H3,(H,13,15,16).
What are the key properties of 4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine?
4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 270.72 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80891170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).