2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine

C21H21ClN2 — CID 118600805

IUPAC2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine
SMILESCCCc1ccc(Cc2cc(C)nc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C21H21ClN2/c1-3-5-16-8-10-17(11-9-16)13-20-12-15(2)23-21(24-20)18-6-4-7-19(22)14-18/h4,6-12,14H,3,5,13H2,1-2H3
InChIKeyBFLNNZVOMZKNDJ-UHFFFAOYSA-N
MW336.87 g/mol
LogP5.65
Rot. Bonds5

About 2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine

2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine (PubChem CID 118600805) has the molecular formula C21H21ClN2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine
PubChem CID118600805
Molecular FormulaC21H21ClN2
Molecular Weight336.87 g/mol
Exact Mass336.14
IUPAC Name2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine
SMILESCCCc1ccc(Cc2cc(C)nc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C21H21ClN2/c1-3-5-16-8-10-17(11-9-16)13-20-12-15(2)23-21(24-20)18-6-4-7-19(22)14-18/h4,6-12,14H,3,5,13H2,1-2H3
InChIKeyBFLNNZVOMZKNDJ-UHFFFAOYSA-N
XLogP5.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.87
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide
CID 90112663
2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624
5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine
CID 66291931
4-chloro-2-(3-chlorophenyl)-5-iodo-6-propylpyrimidine
CID 66293774
4-(3-chlorophenyl)-6-[(3-chlorophenyl)methyl]-2-methylpyrimidine
CID 139199162
2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine
CID 144616801
2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
CID 56766929
2-(3-chlorophenyl)-4-methyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidine
CID 95922304
N-[[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62744634
2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 86217524
1-[4-[[2-(3-chlorophenyl)-6-methyl-4-pyridinyl]methyl]phenyl]propan-2-one
CID 118048453
4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
CID 79441111

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine (CID 118600805) is 2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine is CCCc1ccc(Cc2cc(C)nc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine?
The InChIKey is BFLNNZVOMZKNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2/c1-3-5-16-8-10-17(11-9-16)13-20-12-15(2)23-21(24-20)18-6-4-7-19(22)14-18/h4,6-12,14H,3,5,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine?
2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine has a molecular weight of 336.87 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-6-[(4-propylphenyl)methyl]pyrimidine is sourced from PubChem (CID 118600805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).