2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine

C16H22N4O — CID 112906938

IUPAC2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(C)nc(Nc2ccc(OCC)cc2)n1
InChIInChI=1S/C16H22N4O/c1-4-10-17-15-11-12(3)18-16(20-15)19-13-6-8-14(9-7-13)21-5-2/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyJDJPMEDZGFMDRG-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.75
Rot. Bonds7

About 2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine

2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112906938) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID112906938
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1cc(C)nc(Nc2ccc(OCC)cc2)n1
InChIInChI=1S/C16H22N4O/c1-4-10-17-15-11-12(3)18-16(20-15)19-13-6-8-14(9-7-13)21-5-2/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyJDJPMEDZGFMDRG-UHFFFAOYSA-N
XLogP3.75
TPSA59.07 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 ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908206
2-N-(4-ethoxyphenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908592
4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112906997
4-N-(2,4-dimethylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112927977
2-N-(2,5-dimethylphenyl)-4-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928127
4-N-(4-ethoxyphenyl)-6-methyl-2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908783
4-N-(4-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930020
2-N-(4-ethoxyphenyl)-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112930929
2-N-(4-ethoxyphenyl)-6-methyl-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112926310
4-N-(3-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929892
2-N-[4-(dimethylamino)phenyl]-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924521
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine (CID 112906938) is 2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine is CCCNc1cc(C)nc(Nc2ccc(OCC)cc2)n1.
What is the InChIKey of 2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is JDJPMEDZGFMDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-10-17-15-11-12(3)18-16(20-15)19-13-6-8-14(9-7-13)21-5-2/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine?
2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112906938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).