2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine

C16H20ClN3O — CID 106819693

IUPAC2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Cl)cc2OC)nc(C)c1C(C)C
InChIInChI=1S/C16H20ClN3O/c1-9(2)14-10(3)19-15(20-16(14)18-4)12-7-6-11(17)8-13(12)21-5/h6-9H,1-5H3,(H,18,19,20)
InChIKeyCZQNQSHDWHXISA-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.28
Rot. Bonds4

About 2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine

2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 106819693) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID106819693
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Cl)cc2OC)nc(C)c1C(C)C
InChIInChI=1S/C16H20ClN3O/c1-9(2)14-10(3)19-15(20-16(14)18-4)12-7-6-11(17)8-13(12)21-5/h6-9H,1-5H3,(H,18,19,20)
InChIKeyCZQNQSHDWHXISA-UHFFFAOYSA-N
XLogP4.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 106819726
2-methoxy-5-[4-methyl-6-(methylamino)-5-propan-2-ylpyrimidin-2-yl]phenol
CID 62913656
2-(4-chloro-2-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 106819704
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
2-(3,4-dimethylphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63480343
4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 106819152
2-(4-chloro-2-methoxyphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106820049
methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 106820046
2-(2,5-dichlorophenyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 114076281
2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62201725
N-[[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 106818714
6-(5-chloro-2-methylphenoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80990394

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine (CID 106819693) is 2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine is CNc1nc(-c2ccc(Cl)cc2OC)nc(C)c1C(C)C.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is CZQNQSHDWHXISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-9(2)14-10(3)19-15(20-16(14)18-4)12-7-6-11(17)8-13(12)21-5/h6-9H,1-5H3,(H,18,19,20).
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine?
2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 305.81 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106819693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).