4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine

C14H13Cl3N2 — CID 80975712

IUPAC4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H13Cl3N2/c1-3-4-12-18-13(8(2)14(17)19-12)10-6-5-9(15)7-11(10)16/h5-7H,3-4H2,1-2H3
InChIKeyJKBSLULTKPNEQZ-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.36
Rot. Bonds3

About 4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine

4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine (PubChem CID 80975712) has the molecular formula C14H13Cl3N2 and a molecular weight of 315.63 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
PubChem CID80975712
Molecular FormulaC14H13Cl3N2
Molecular Weight315.63 g/mol
Exact Mass314.01
IUPAC Name4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H13Cl3N2/c1-3-4-12-18-13(8(2)14(17)19-12)10-6-5-9(15)7-11(10)16/h5-7H,3-4H2,1-2H3
InChIKeyJKBSLULTKPNEQZ-UHFFFAOYSA-N
XLogP5.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.63
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-6-(2,4-difluorophenyl)-5-methyl-2-propylpyrimidine
CID 80974834
4-chloro-6-(2-fluoro-5-methylphenyl)-5-methyl-2-propylpyrimidine
CID 80975531
4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine
CID 80974938
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine
CID 115502941
4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
CID 80975131
4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine
CID 104739134
6-(2,5-dichlorophenyl)-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 80977454
4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine
CID 80975301
5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline
CID 80970017
6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80989994
4-chloro-6-(5-fluoro-3-pyridinyl)-5-methyl-2-propylpyrimidine
CID 80974828
6-chloro-N-[(3,4-difluorophenyl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80979456

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine (CID 80975712) is 4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine?
The InChIKey is JKBSLULTKPNEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2/c1-3-4-12-18-13(8(2)14(17)19-12)10-6-5-9(15)7-11(10)16/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine?
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine has a molecular weight of 315.63 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 80975712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).