6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine

C19H20N4 — CID 112864985

IUPAC6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCc1ccc(Nc2cc(N(C)c3ccccc3)ncn2)cc1
InChIInChI=1S/C19H20N4/c1-3-15-9-11-16(12-10-15)22-18-13-19(21-14-20-18)23(2)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,20,21,22)
InChIKeyKMJUHNYDJOCITQ-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.55
Rot. Bonds5

About 6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine

6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112864985) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112864985
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCCc1ccc(Nc2cc(N(C)c3ccccc3)ncn2)cc1
InChIInChI=1S/C19H20N4/c1-3-15-9-11-16(12-10-15)22-18-13-19(21-14-20-18)23(2)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,20,21,22)
InChIKeyKMJUHNYDJOCITQ-UHFFFAOYSA-N
XLogP4.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-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

6-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112865025
6-N-(3-chloro-4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112864998
1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865016
6-N-tert-butyl-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863765
N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928200
4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860925
4-N-benzyl-4-N-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112859473
6-N-(4-aminophenyl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115264271
4-N,4-N-diethyl-6-N-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112863464
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
methyl 2-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865413
4-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112865429

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine (CID 112864985) is 6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine is CCc1ccc(Nc2cc(N(C)c3ccccc3)ncn2)cc1.
What is the InChIKey of 6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is KMJUHNYDJOCITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-3-15-9-11-16(12-10-15)22-18-13-19(21-14-20-18)23(2)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine?
6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 304.40 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112864985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).