4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine

C15H16Cl2N2O — CID 80973545

IUPAC4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(OCc2ccccc2Cl)n1
InChIInChI=1S/C15H16Cl2N2O/c1-3-6-13-18-14(17)10(2)15(19-13)20-9-11-7-4-5-8-12(11)16/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyNUWVKFJNJPNWGI-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.62
Rot. Bonds5

About 4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine

4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine (PubChem CID 80973545) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
PubChem CID80973545
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(OCc2ccccc2Cl)n1
InChIInChI=1S/C15H16Cl2N2O/c1-3-6-13-18-14(17)10(2)15(19-13)20-9-11-7-4-5-8-12(11)16/h4-5,7-8H,3,6,9H2,1-2H3
InChIKeyNUWVKFJNJPNWGI-UHFFFAOYSA-N
XLogP4.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80979316
4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine
CID 80973302
4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 80972973
4-chloro-5-methyl-2-propyl-6-(3-pyridin-4-ylpropoxy)pyrimidine
CID 80974467
4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine
CID 112587573
4-chloro-5-methyl-2-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidine
CID 80972729
6-[(2-chlorophenyl)methylsulfanyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 103291510
4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine
CID 80859211
2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80988122
4-(3-bromophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 80973920
4-but-3-yn-2-yloxy-6-chloro-5-methyl-2-propylpyrimidine
CID 106794814
[4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine
CID 114216987

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine (CID 80973545) is 4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(OCc2ccccc2Cl)n1.
What is the InChIKey of 4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine?
The InChIKey is NUWVKFJNJPNWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-3-6-13-18-14(17)10(2)15(19-13)20-9-11-7-4-5-8-12(11)16/h4-5,7-8H,3,6,9H2,1-2H3.
What are the key properties of 4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine?
4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine has a molecular weight of 311.21 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 80973545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).