2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine

C20H22N4O — CID 112902522

IUPAC2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1ccnc(Nc2cc(C)ccc2C)n1
InChIInChI=1S/C20H22N4O/c1-4-25-18-8-6-5-7-16(18)22-19-11-12-21-20(24-19)23-17-13-14(2)9-10-15(17)3/h5-13H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyLJWFVEZPZOMMBG-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.98
Rot. Bonds6

About 2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine

2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112902522) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112902522
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1ccnc(Nc2cc(C)ccc2C)n1
InChIInChI=1S/C20H22N4O/c1-4-25-18-8-6-5-7-16(18)22-19-11-12-21-20(24-19)23-17-13-14(2)9-10-15(17)3/h5-13H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyLJWFVEZPZOMMBG-UHFFFAOYSA-N
XLogP4.98
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112903988
2-[[4-(2-ethoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112904858
4-N-(2-ethoxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112904843
2-N-(2-ethoxyphenyl)-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904866
2-N-(2-ethoxyphenyl)-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112902830
2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900381
4-N-(5-chloro-2-methylphenyl)-2-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929955
4-N-(2-ethoxyphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112904861
4-[[4-(2-ethoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112904860
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902498
2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112901866
4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899905

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine (CID 112902522) is 2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine is CCOc1ccccc1Nc1ccnc(Nc2cc(C)ccc2C)n1.
What is the InChIKey of 2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is LJWFVEZPZOMMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-25-18-8-6-5-7-16(18)22-19-11-12-21-20(24-19)23-17-13-14(2)9-10-15(17)3/h5-13H,4H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine?
2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethylphenyl)-4-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112902522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).