4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine

C15H17ClN2O — CID 80975932

IUPAC4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCOc1cccc(-c2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C15H17ClN2O/c1-9(2)15-17-13(10(3)14(16)18-15)11-6-5-7-12(8-11)19-4/h5-9H,1-4H3
InChIKeySEHBDQIDULFINI-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.24
Rot. Bonds3

About 4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine

4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 80975932) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
PubChem CID80975932
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCOc1cccc(-c2nc(C(C)C)nc(Cl)c2C)c1
InChIInChI=1S/C15H17ClN2O/c1-9(2)15-17-13(10(3)14(16)18-15)11-6-5-7-12(8-11)19-4/h5-9H,1-4H3
InChIKeySEHBDQIDULFINI-UHFFFAOYSA-N
XLogP4.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974789
4-chloro-6-(4-chloro-3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80975882
4-chloro-6-(3-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidine
CID 80973916
4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80970109
6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80972238
2-chloro-6-(3-methoxyphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94282086
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole
CID 160973028
6-(3-ethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80977446
4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80973136
4-chloro-2-cyclopropyl-5-methyl-6-(3-propan-2-yloxyphenyl)pyrimidine
CID 80970542
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine (CID 80975932) is 4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine is COc1cccc(-c2nc(C(C)C)nc(Cl)c2C)c1.
What is the InChIKey of 4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is SEHBDQIDULFINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9(2)15-17-13(10(3)14(16)18-15)11-6-5-7-12(8-11)19-4/h5-9H,1-4H3.
What are the key properties of 4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine?
4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 276.77 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80975932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).