4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine

C14H14Cl2N2O — CID 63612833

IUPAC4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
SMILESCCCOc1ccc(-c2nc(Cl)c(C)c(Cl)n2)cc1
InChIInChI=1S/C14H14Cl2N2O/c1-3-8-19-11-6-4-10(5-7-11)14-17-12(15)9(2)13(16)18-14/h4-7H,3,8H2,1-2H3
InChIKeyWIXQJZXTOPEWTL-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.55
Rot. Bonds4

About 4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine

4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine (PubChem CID 63612833) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
PubChem CID63612833
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine
SMILESCCCOc1ccc(-c2nc(Cl)c(C)c(Cl)n2)cc1
InChIInChI=1S/C14H14Cl2N2O/c1-3-8-19-11-6-4-10(5-7-11)14-17-12(15)9(2)13(16)18-14/h4-7H,3,8H2,1-2H3
InChIKeyWIXQJZXTOPEWTL-UHFFFAOYSA-N
XLogP4.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butoxyphenyl)-4-chloro-5,6-dimethylpyrimidine
CID 82168908
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495779
4-chloro-6-propan-2-yl-2-(4-propoxyphenyl)pyrimidine
CID 63405375
4-chloro-6-(methoxymethyl)-2-(4-propoxyphenyl)pyrimidine
CID 62496941
N,6-dimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495443
2-(4-bromophenyl)-4,6-dichloro-5-methylpyrimidine
CID 63613484
2-butoxy-4,6-dichloro-5-methylpyrimidine
CID 118940482
3-chloro-5-(4-propoxyphenyl)-1,2,4-triazine
CID 82480729
4,6-dichloro-5-methyl-2-pyridin-4-ylpyrimidine
CID 63612812
2-chloro-5-fluoro-4-(4-propoxyphenyl)pyrimidine
CID 79078918
5-bromo-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 66296050

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine (CID 63612833) is 4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine is CCCOc1ccc(-c2nc(Cl)c(C)c(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine?
The InChIKey is WIXQJZXTOPEWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-3-8-19-11-6-4-10(5-7-11)14-17-12(15)9(2)13(16)18-14/h4-7H,3,8H2,1-2H3.
What are the key properties of 4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine?
4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine has a molecular weight of 297.19 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-(4-propoxyphenyl)pyrimidine is sourced from PubChem (CID 63612833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).