4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine

C15H17ClN2O3 — CID 60996661

IUPAC4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2nc(C)c(C)c(Cl)n2)c(OC)c1OC
InChIInChI=1S/C15H17ClN2O3/c1-8-9(2)17-15(18-14(8)16)10-6-7-11(19-3)13(21-5)12(10)20-4/h6-7H,1-5H3
InChIKeyCCSLSXMZQFJERY-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.44
Rot. Bonds4

About 4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine

4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine (PubChem CID 60996661) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine
PubChem CID60996661
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2nc(C)c(C)c(Cl)n2)c(OC)c1OC
InChIInChI=1S/C15H17ClN2O3/c1-8-9(2)17-15(18-14(8)16)10-6-7-11(19-3)13(21-5)12(10)20-4/h6-7H,1-5H3
InChIKeyCCSLSXMZQFJERY-UHFFFAOYSA-N
XLogP3.44
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-5-fluoro-2-(2,3,4-trimethoxyphenyl)pyrimidine
CID 80550935
4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine
CID 60996659
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
CID 62202129
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
CID 173437157
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
N-methyl-2-(2,3,4-trimethoxyphenyl)pyrimidin-4-amine
CID 62203643
4-chloro-2-(4-chlorophenyl)-5,6-dimethylpyrimidine
CID 60996954
ethane;1,2,3-trimethoxy-4-methylbenzene
CID 142152701
4-chloro-2-(2,4-dimethoxyphenyl)-6-ethyl-5-methylpyrimidine
CID 63549144
4-chloro-2-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethylpyrimidine
CID 60995827

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine (CID 60996661) is 4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine is COc1ccc(-c2nc(C)c(C)c(Cl)n2)c(OC)c1OC.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine?
The InChIKey is CCSLSXMZQFJERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-8-9(2)17-15(18-14(8)16)10-6-7-11(19-3)13(21-5)12(10)20-4/h6-7H,1-5H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine?
4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine has a molecular weight of 308.77 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-(2,3,4-trimethoxyphenyl)pyrimidine is sourced from PubChem (CID 60996661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).