6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine

C16H22N4O — CID 80805047

IUPAC6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2ccc(OC)cc2C)c1CC
InChIInChI=1S/C16H22N4O/c1-5-13-15(17-6-2)18-10-19-16(13)20-14-8-7-12(21-4)9-11(14)3/h7-10H,5-6H2,1-4H3,(H2,17,18,19,20)
InChIKeyVQCKRZOWIJVWFY-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.53
Rot. Bonds6

About 6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine

6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 80805047) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
PubChem CID80805047
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(Nc2ccc(OC)cc2C)c1CC
InChIInChI=1S/C16H22N4O/c1-5-13-15(17-6-2)18-10-19-16(13)20-14-8-7-12(21-4)9-11(14)3/h7-10H,5-6H2,1-4H3,(H2,17,18,19,20)
InChIKeyVQCKRZOWIJVWFY-UHFFFAOYSA-N
XLogP3.53
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-N-(4-methoxy-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80824993
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80825171
4-N-(4-methoxy-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80825505
6-N-ethyl-4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80804662
N-(2,4-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80913595
6-N,5-diethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80783685
5-ethyl-4-N-(2-fluoro-5-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80854900
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
6-chloro-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,5-diamine
CID 63024300
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399
6-N,5-diethyl-4-N-(3-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80795409
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80761579

Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine (CID 80805047) is 6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine is CCNc1ncnc(Nc2ccc(OC)cc2C)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is VQCKRZOWIJVWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-5-13-15(17-6-2)18-10-19-16(13)20-14-8-7-12(21-4)9-11(14)3/h7-10H,5-6H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-(4-methoxy-2-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80805047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).