6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine

C13H16N4O — CID 10466996

IUPAC6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1cccc(OC)c1
InChIInChI=1S/C13H16N4O/c1-3-10-11(12(14)17-13(15)16-10)8-5-4-6-9(7-8)18-2/h4-7H,3H2,1-2H3,(H4,14,15,16,17)
InChIKeyBCMQURZZONLYKB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.88
Rot. Bonds3

About 6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine

6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 10466996) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID10466996
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1cccc(OC)c1
InChIInChI=1S/C13H16N4O/c1-3-10-11(12(14)17-13(15)16-10)8-5-4-6-9(7-8)18-2/h4-7H,3H2,1-2H3,(H4,14,15,16,17)
InChIKeyBCMQURZZONLYKB-UHFFFAOYSA-N
XLogP1.88
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-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

2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
2,4-Quinazolinediamine, 5-methoxy-
CID 213752
5-(3-Chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine
CID 10927461
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
5-[3-[3-(3,5-Dimethylphenyl)-5-methoxy-phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25195124
5-[3-[3-Methoxy-5-(p-tolyl)phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25195125
5-(3-{3-[(2,4-Diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 50992060
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
5-(4-{3-[(2,4-Diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 60199138
5-(3-(2,5-Dimethoxyphenyl)prop-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine
CID 25058133
5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 25093369
5-[(3s)-3-(2-Methoxybiphenyl-4-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
CID 25195365

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine (CID 10466996) is 6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1cccc(OC)c1.
What is the InChIKey of 6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is BCMQURZZONLYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-10-11(12(14)17-13(15)16-10)8-5-4-6-9(7-8)18-2/h4-7H,3H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine?
6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(3-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 10466996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).