4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine

C16H22N4O — CID 80940431

IUPAC4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C16H22N4O/c1-3-4-15-19-14(17)11-16(20-15)18-10-9-12-5-7-13(21-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H3,17,18,19,20)
InChIKeyMAIONFCVTOVQRJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.67
Rot. Bonds7

About 4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine

4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine (PubChem CID 80940431) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
PubChem CID80940431
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C16H22N4O/c1-3-4-15-19-14(17)11-16(20-15)18-10-9-12-5-7-13(21-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H3,17,18,19,20)
InChIKeyMAIONFCVTOVQRJ-UHFFFAOYSA-N
XLogP2.67
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-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

4-N-(4-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80946490
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
4-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 103012384
4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954632
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80944222
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 65416274
[2-(iodomethyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]methanol
CID 89323620
4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 107855538

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine (CID 80940431) is 4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(NCCc2ccc(OC)cc2)n1.
What is the InChIKey of 4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine?
The InChIKey is MAIONFCVTOVQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-4-15-19-14(17)11-16(20-15)18-10-9-12-5-7-13(21-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H3,17,18,19,20).
What are the key properties of 4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine?
4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methoxyphenyl)ethyl]-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80940431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).