N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

C24H29N5 — CID 112880877

IUPACN-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(N2CCCc3ccccc32)nc(-c2ccccc2)n1
InChIInChI=1S/C24H29N5/c1-28(2)16-9-15-25-22-18-23(27-24(26-22)20-11-4-3-5-12-20)29-17-8-13-19-10-6-7-14-21(19)29/h3-7,10-12,14,18H,8-9,13,15-17H2,1-2H3,(H,25,26,27)
InChIKeyGMVNDTPWIIYOSD-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.59
Rot. Bonds7

About N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine

N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 112880877) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID112880877
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC NameN-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1cc(N2CCCc3ccccc32)nc(-c2ccccc2)n1
InChIInChI=1S/C24H29N5/c1-28(2)16-9-15-25-22-18-23(27-24(26-22)20-11-4-3-5-12-20)29-17-8-13-19-10-6-7-14-21(19)29/h3-7,10-12,14,18H,8-9,13,15-17H2,1-2H3,(H,25,26,27)
InChIKeyGMVNDTPWIIYOSD-UHFFFAOYSA-N
XLogP4.59
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-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-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913500
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112913021
N-[2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887033
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874295
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874212
N-tert-butyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853731
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870536
3,4-dihydro-2H-quinolin-1-yl-[2-phenyl-6-(propylamino)pyrimidin-4-yl]methanone
CID 112851301
4-N-(2,6-difluorophenyl)-6-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4,6-diamine
CID 112880917
4-(3,4-dihydro-2H-quinolin-1-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933469
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112852847

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine (CID 112880877) is N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1cc(N2CCCc3ccccc32)nc(-c2ccccc2)n1.
What is the InChIKey of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is GMVNDTPWIIYOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-28(2)16-9-15-25-22-18-23(27-24(26-22)20-11-4-3-5-12-20)29-17-8-13-19-10-6-7-14-21(19)29/h3-7,10-12,14,18H,8-9,13,15-17H2,1-2H3,(H,25,26,27).
What are the key properties of N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 387.53 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 112880877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).