4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine

C13H11ClFN3 — CID 80975934

IUPAC4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1-c1cncc(F)c1
InChIInChI=1S/C13H11ClFN3/c1-7-11(9-4-10(15)6-16-5-9)17-13(8-2-3-8)18-12(7)14/h4-6,8H,2-3H2,1H3
InChIKeyAOPGJUURYGQUJQ-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.52
Rot. Bonds2

About 4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine

4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine (PubChem CID 80975934) has the molecular formula C13H11ClFN3 and a molecular weight of 263.70 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine
PubChem CID80975934
Molecular FormulaC13H11ClFN3
Molecular Weight263.70 g/mol
Exact Mass263.06
IUPAC Name4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1-c1cncc(F)c1
InChIInChI=1S/C13H11ClFN3/c1-7-11(9-4-10(15)6-16-5-9)17-13(8-2-3-8)18-12(7)14/h4-6,8H,2-3H2,1H3
InChIKeyAOPGJUURYGQUJQ-UHFFFAOYSA-N
XLogP3.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine
CID 113324783
3-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)quinoline
CID 80971058
4-chloro-6-(5-fluoro-3-pyridinyl)-5-methyl-2-propylpyrimidine
CID 80974828
4-chloro-2-cyclopropyl-6-(2,3-difluorophenyl)-5-methylpyrimidine
CID 80974850
4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine
CID 80970542
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330
4-chloro-2-cyclopropyl-5-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80970010
4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80975037
4,6-dichloro-2,5-dicyclopropylpyrimidine
CID 118990185
4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine
CID 80952148
6-chloro-3-cyclopropyl-7-fluoro-2-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine
CID 89471870
4-(5-fluoro-3-pyridinyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136692266

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine (CID 80975934) is 4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1-c1cncc(F)c1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine?
The InChIKey is AOPGJUURYGQUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3/c1-7-11(9-4-10(15)6-16-5-9)17-13(8-2-3-8)18-12(7)14/h4-6,8H,2-3H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine has a molecular weight of 263.70 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(5-fluoro-3-pyridinyl)-5-methylpyrimidine is sourced from PubChem (CID 80975934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).