2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine

C22H19N5 — CID 112933219

IUPAC2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(Nc3cccc4cccnc34)nc(NC3CC3)n2)cc1
InChIInChI=1S/C22H19N5/c1-2-6-15(7-3-1)19-14-20(27-22(26-19)24-17-11-12-17)25-18-10-4-8-16-9-5-13-23-21(16)18/h1-10,13-14,17H,11-12H2,(H2,24,25,26,27)
InChIKeyGOEYRNXQVHMSSI-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.01
Rot. Bonds5

About 2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine

2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112933219) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112933219
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(Nc3cccc4cccnc34)nc(NC3CC3)n2)cc1
InChIInChI=1S/C22H19N5/c1-2-6-15(7-3-1)19-14-20(27-22(26-19)24-17-11-12-17)25-18-10-4-8-16-9-5-13-23-21(16)18/h1-10,13-14,17H,11-12H2,(H2,24,25,26,27)
InChIKeyGOEYRNXQVHMSSI-UHFFFAOYSA-N
XLogP5.01
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-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-cyclopentyl-4-N-(2-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112934451
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
2-N-cyclopropyl-6-phenyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112933212
2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112933194
N-pyridin-2-ylquinolin-8-amine
CID 82537542
4-N-cyclopentyl-2-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934370
4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937172
4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
CID 112933540
2-N-cyclopentyl-4-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934436
N-(2-hydrazinyl-6-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926650
2-N-cyclohexyl-4-N-(1,1-dioxothiolan-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112934694
4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112932921

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112933219) is 2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine is c1ccc(-c2cc(Nc3cccc4cccnc34)nc(NC3CC3)n2)cc1.
What is the InChIKey of 2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is GOEYRNXQVHMSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-2-6-15(7-3-1)19-14-20(27-22(26-19)24-17-11-12-17)25-18-10-4-8-16-9-5-13-23-21(16)18/h1-10,13-14,17H,11-12H2,(H2,24,25,26,27).
What are the key properties of 2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 353.43 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-6-phenyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).