4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine

C18H20N6 — CID 19152871

IUPAC4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc3ncccc23)ncnc1NC1CCCC1
InChIInChI=1S/C18H20N6/c19-16-17(23-12-5-1-2-6-12)21-11-22-18(16)24-15-9-3-8-14-13(15)7-4-10-20-14/h3-4,7-12H,1-2,5-6,19H2,(H2,21,22,23,24)
InChIKeyWWMZVGSOEQXKNZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.71
Rot. Bonds4

About 4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine

4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine (PubChem CID 19152871) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
PubChem CID19152871
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cccc3ncccc23)ncnc1NC1CCCC1
InChIInChI=1S/C18H20N6/c19-16-17(23-12-5-1-2-6-12)21-11-22-18(16)24-15-9-3-8-14-13(15)7-4-10-20-14/h3-4,7-12H,1-2,5-6,19H2,(H2,21,22,23,24)
InChIKeyWWMZVGSOEQXKNZ-UHFFFAOYSA-N
XLogP3.71
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine 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

CID 57469
CID 57469
CID 11256587
CID 11256587
CID 5164
CID 5164
CID 11247522
CID 11247522
CID 4707
CID 4707
CID 676352
CID 676352
CID 24898732
CID 24898732
CID 68947304
CID 68947304
CID 53325874
CID 53325874
CID 5328258
CID 5328258
CID 616573
CID 616573
CID 667555
CID 667555

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine (CID 19152871) is 4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine is Nc1c(Nc2cccc3ncccc23)ncnc1NC1CCCC1.
What is the InChIKey of 4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The InChIKey is WWMZVGSOEQXKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c19-16-17(23-12-5-1-2-6-12)21-11-22-18(16)24-15-9-3-8-14-13(15)7-4-10-20-14/h3-4,7-12H,1-2,5-6,19H2,(H2,21,22,23,24).
What are the key properties of 4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine has a molecular weight of 320.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19152871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).