4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine

C17H21ClN2 — CID 80974938

IUPAC4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine
SMILESCCCc1nc(Cl)c(C)c(-c2cc(C)c(C)cc2C)n1
InChIInChI=1S/C17H21ClN2/c1-6-7-15-19-16(13(5)17(18)20-15)14-9-11(3)10(2)8-12(14)4/h8-9H,6-7H2,1-5H3
InChIKeyCBKPMAVPRPHCAC-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.98
Rot. Bonds3

About 4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine

4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine (PubChem CID 80974938) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine
PubChem CID80974938
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine
SMILESCCCc1nc(Cl)c(C)c(-c2cc(C)c(C)cc2C)n1
InChIInChI=1S/C17H21ClN2/c1-6-7-15-19-16(13(5)17(18)20-15)14-9-11(3)10(2)8-12(14)4/h8-9H,6-7H2,1-5H3
InChIKeyCBKPMAVPRPHCAC-UHFFFAOYSA-N
XLogP4.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
4-chloro-6-(2-fluoro-5-methylphenyl)-5-methyl-2-propylpyrimidine
CID 80975531
4-chloro-6-(2,4-difluorophenyl)-5-methyl-2-propylpyrimidine
CID 80974834
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine
CID 115502941
4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine
CID 104739134
4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine
CID 80975301
4-chloro-6-(5-fluoro-3-pyridinyl)-5-methyl-2-propylpyrimidine
CID 80974828
5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline
CID 80970017
6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973603
6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline
CID 81230739
4-chloro-6-(5-fluoro-1-benzofuran-2-yl)-5-methyl-2-propylpyrimidine
CID 114734240
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80978525

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine (CID 80974938) is 4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine is CCCc1nc(Cl)c(C)c(-c2cc(C)c(C)cc2C)n1.
What is the InChIKey of 4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine?
The InChIKey is CBKPMAVPRPHCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-6-7-15-19-16(13(5)17(18)20-15)14-9-11(3)10(2)8-12(14)4/h8-9H,6-7H2,1-5H3.
What are the key properties of 4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine?
4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine has a molecular weight of 288.82 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine is sourced from PubChem (CID 80974938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).