4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine

C16H19ClN2O2 — CID 80970109

IUPAC4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCOc1ccc(OC)c(-c2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C16H19ClN2O2/c1-9(2)16-18-14(10(3)15(17)19-16)12-8-11(20-4)6-7-13(12)21-5/h6-9H,1-5H3
InChIKeyYUGMKQJDJWUPIK-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.25
Rot. Bonds4

About 4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine

4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 80970109) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
PubChem CID80970109
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCOc1ccc(OC)c(-c2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C16H19ClN2O2/c1-9(2)16-18-14(10(3)15(17)19-16)12-8-11(20-4)6-7-13(12)21-5/h6-9H,1-5H3
InChIKeyYUGMKQJDJWUPIK-UHFFFAOYSA-N
XLogP4.25
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975932
4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975882
4-chloro-6-(5-chloro-2-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 86004326
4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80973916
6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80972238
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
4-chloro-6-(2-chloro-5-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 105396018
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
CID 66313822
3-chloro-2-(2,5-dimethoxyphenyl)-5-methylpyridine
CID 56710784
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
4-chloro-6-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952524
2-[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 94693410

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine (CID 80970109) is 4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine is COc1ccc(OC)c(-c2nc(C(C)C)nc(Cl)c2C)c1.
What is the InChIKey of 4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is YUGMKQJDJWUPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-9(2)16-18-14(10(3)15(17)19-16)12-8-11(20-4)6-7-13(12)21-5/h6-9H,1-5H3.
What are the key properties of 4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine?
4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 306.79 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80970109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).