2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine

C9H6ClFN4S — CID 79075709

IUPAC2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine
SMILESCc1ccnc(Sc2nc(Cl)ncc2F)n1
InChIInChI=1S/C9H6ClFN4S/c1-5-2-3-12-9(14-5)16-7-6(11)4-13-8(10)15-7/h2-4H,1H3
InChIKeyZQQZFWCUBXQHQL-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.52
Rot. Bonds2

About 2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine

2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine (PubChem CID 79075709) has the molecular formula C9H6ClFN4S and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine
PubChem CID79075709
Molecular FormulaC9H6ClFN4S
Molecular Weight256.69 g/mol
Exact Mass256.00
IUPAC Name2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine
SMILESCc1ccnc(Sc2nc(Cl)ncc2F)n1
InChIInChI=1S/C9H6ClFN4S/c1-5-2-3-12-9(14-5)16-7-6(11)4-13-8(10)15-7/h2-4H,1H3
InChIKeyZQQZFWCUBXQHQL-UHFFFAOYSA-N
XLogP2.52
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-Chloro-6-methyl-4-pyrimidinyl)sulfanyl]-6-(dimethylamino)-1,3,5-triazin-2-YL]-N,N-dimethylamine
CID 3157003
Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-
CID 78585
Bis(6-methyl-2-pyrimidinylthio)methane
CID 15843050
2-(4,4-Difluorobut-3-enylsulfanyl)-4-methylpyrimidine
CID 21478865
2-(3-Fluoropyrazol-1-yl)-4-methyl-6-pyrimidin-2-ylsulfanylpyrimidine
CID 57806052
4-(Fluoromethyl)-2-methylsulfanylpyrimidine
CID 88974978
4-(Difluoromethyl)-2-propylsulfanylpyrimidine
CID 163268271
4-(Pyrimidin-4-ylmethylsulfanylmethyl)pyrimidine
CID 91216006
2-N,2-N-dimethyl-6-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 33756765
2-(2-Chloroprop-2-enylsulfanyl)-4-(trifluoromethyl)pyrimidine
CID 47143060
N-[3-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropyl]pyrimidin-2-amine
CID 53609506
2-N,2-N-dimethyl-6-[1-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-1,3,5-triazine-2,4-diamine
CID 60416618

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine (CID 79075709) is 2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine is Cc1ccnc(Sc2nc(Cl)ncc2F)n1.
What is the InChIKey of 2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine?
The InChIKey is ZQQZFWCUBXQHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN4S/c1-5-2-3-12-9(14-5)16-7-6(11)4-13-8(10)15-7/h2-4H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine?
2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine has a molecular weight of 256.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidine is sourced from PubChem (CID 79075709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).