4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine

C13H13ClFN3 — CID 104739134

IUPAC4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-c2ccncc2F)n1
InChIInChI=1S/C13H13ClFN3/c1-3-4-11-17-12(8(2)13(14)18-11)9-5-6-16-7-10(9)15/h5-7H,3-4H2,1-2H3
InChIKeyLEVGEXJYVZGUID-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.59
Rot. Bonds3

About 4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine

4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine (PubChem CID 104739134) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine
PubChem CID104739134
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-c2ccncc2F)n1
InChIInChI=1S/C13H13ClFN3/c1-3-4-11-17-12(8(2)13(14)18-11)9-5-6-16-7-10(9)15/h5-7H,3-4H2,1-2H3
InChIKeyLEVGEXJYVZGUID-UHFFFAOYSA-N
XLogP3.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,4-difluorophenyl)-5-methyl-2-propylpyrimidine
CID 80974834
5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline
CID 80970017
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine
CID 115502941
4-chloro-6-(2-fluoro-5-methylphenyl)-5-methyl-2-propylpyrimidine
CID 80975531
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine
CID 80975474
4-chloro-6-(5-fluoro-3-pyridinyl)-5-methyl-2-propylpyrimidine
CID 80974828
4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine
CID 80974938
4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
CID 80975131
4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine
CID 80975301
3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole
CID 104739168
6-chloro-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 114701542

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine (CID 104739134) is 4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(-c2ccncc2F)n1.
What is the InChIKey of 4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine?
The InChIKey is LEVGEXJYVZGUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-3-4-11-17-12(8(2)13(14)18-11)9-5-6-16-7-10(9)15/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine?
4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine has a molecular weight of 265.72 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 104739134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).