1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine

C20H21N5 — CID 122282330

IUPAC1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3cc(N4CCCC4)ncn3)cc2)cc1
InChIInChI=1S/C20H21N5/c1-2-6-16(7-3-1)23-17-8-10-18(11-9-17)24-19-14-20(22-15-21-19)25-12-4-5-13-25/h1-3,6-11,14-15,23H,4-5,12-13H2,(H,21,22,24)
InChIKeyJMIDODRQWFKSLF-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.56
Rot. Bonds5

About 1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine

1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine (PubChem CID 122282330) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
PubChem CID122282330
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
SMILESc1ccc(Nc2ccc(Nc3cc(N4CCCC4)ncn3)cc2)cc1
InChIInChI=1S/C20H21N5/c1-2-6-16(7-3-1)23-17-8-10-18(11-9-17)24-19-14-20(22-15-21-19)25-12-4-5-13-25/h1-3,6-11,14-15,23H,4-5,12-13H2,(H,21,22,24)
InChIKeyJMIDODRQWFKSLF-UHFFFAOYSA-N
XLogP4.56
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-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-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863373
4-N,4-N-dimethyl-1-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine
CID 112855770
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112864690
6-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-N-phenylpyrimidin-4-amine
CID 154865703
N-(4-chloro-3-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282462
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-piperidin-1-ylphenyl)pyrimidin-4-amine
CID 112861244
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
N-[3-[[6-(azepan-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864653
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282279
1,3-dimethyl-5-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]benzimidazol-2-one
CID 22433058
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862304

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine (CID 122282330) is 1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine is c1ccc(Nc2ccc(Nc3cc(N4CCCC4)ncn3)cc2)cc1.
What is the InChIKey of 1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
The InChIKey is JMIDODRQWFKSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-2-6-16(7-3-1)23-17-8-10-18(11-9-17)24-19-14-20(22-15-21-19)25-12-4-5-13-25/h1-3,6-11,14-15,23H,4-5,12-13H2,(H,21,22,24).
What are the key properties of 1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine?
1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine has a molecular weight of 331.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 122282330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).