2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine

C18H18N4 — CID 112890568

IUPAC2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1ccnc(Nc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H18N4/c1-14(15-8-4-2-5-9-15)20-17-12-13-19-18(22-17)21-16-10-6-3-7-11-16/h2-14H,1H3,(H2,19,20,21,22)
InChIKeyHAJBRIIDHIRUTO-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.39
Rot. Bonds5

About 2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine

2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112890568) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112890568
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1ccnc(Nc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C18H18N4/c1-14(15-8-4-2-5-9-15)20-17-12-13-19-18(22-17)21-16-10-6-3-7-11-16/h2-14H,1H3,(H2,19,20,21,22)
InChIKeyHAJBRIIDHIRUTO-UHFFFAOYSA-N
XLogP4.39
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-phenyl-4-N-(1-phenylethyl)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-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890634
4-N-(4-bromophenyl)-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890739
4-N-(1-phenylethyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112890645
4-N-(1-phenylethyl)-2-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112890667
4-hydrazinyl-N-phenylpyrimidin-2-amine
CID 94672732
2-[(2-anilinopyrimidin-4-yl)amino]-2-(4-methylphenyl)ethanol
CID 69186524
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991
2-N-(1-phenylethyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890680
3-N-[4-(dimethylamino)phenyl]-5-N-(1-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112948995
4-N-[(2-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890674
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112901770

Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine (CID 112890568) is 2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine is CC(Nc1ccnc(Nc2ccccc2)n1)c1ccccc1.
What is the InChIKey of 2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is HAJBRIIDHIRUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-14(15-8-4-2-5-9-15)20-17-12-13-19-18(22-17)21-16-10-6-3-7-11-16/h2-14H,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine?
2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 290.37 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112890568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).