4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine

C20H22N4 — CID 139402169

IUPAC4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(C)c1ccnc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-3-16-23(2)19-14-15-21-20(22-19)24(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15H,3,16H2,1-2H3
InChIKeyRKMGTKIFVORWET-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.79
Rot. Bonds6

About 4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine

4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 139402169) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID139402169
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(C)c1ccnc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-3-16-23(2)19-14-15-21-20(22-19)24(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15H,3,16H2,1-2H3
InChIKeyRKMGTKIFVORWET-UHFFFAOYSA-N
XLogP4.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-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

N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900078
2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112891014
N-methyl-N-propylpyrimidin-2-amine
CID 67810585
2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890972
N,N-dimethylaniline;N,N-dipropylpropan-1-amine
CID 67813057
2-N-ethyl-4-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80846765
3-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]-methylamino]propanamide
CID 134704056
6-(ethylaminomethyl)-N-methyl-N-propylpyridin-2-amine
CID 62279844
4-N-butyl-4-N-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112900569
2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112896192
N-butyl-2-(N-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312336

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine (CID 139402169) is 4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine is CCCN(C)c1ccnc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is RKMGTKIFVORWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-16-23(2)19-14-15-21-20(22-19)24(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15H,3,16H2,1-2H3.
What are the key properties of 4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine?
4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N,2-N-diphenyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 139402169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).