6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine

C16H22N4O — CID 80795409

IUPAC6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)c2cccc(OC)c2)c1CC
InChIInChI=1S/C16H22N4O/c1-5-14-15(17-6-2)18-11-19-16(14)20(3)12-8-7-9-13(10-12)21-4/h7-11H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyGKYVOLOFVLVOIW-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.25
Rot. Bonds6

About 6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine

6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80795409) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID80795409
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)c2cccc(OC)c2)c1CC
InChIInChI=1S/C16H22N4O/c1-5-14-15(17-6-2)18-11-19-16(14)20(3)12-8-7-9-13(10-12)21-4/h7-11H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyGKYVOLOFVLVOIW-UHFFFAOYSA-N
XLogP3.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine 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

6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
CID 80805047
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
CID 80839058
4-N-(3-methoxyphenyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80816541
4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,5-diamine
CID 79918567
4-N,6-N,5-triethyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80808569
6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine
CID 80809383
6-N,5-diethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80791055
6-hydrazinyl-N-(4-methoxyphenyl)-N-methyl-5-propylpyrimidin-4-amine
CID 80900380
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
CID 80771706
5-ethyl-4-N-(4-fluorophenyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80815897
N-ethyl-3-methoxy-N-methylaniline
CID 67357774

Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine (CID 80795409) is 6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine is CCNc1ncnc(N(C)c2cccc(OC)c2)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is GKYVOLOFVLVOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-14-15(17-6-2)18-11-19-16(14)20(3)12-8-7-9-13(10-12)21-4/h7-11H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80795409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).