N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine

C19H16N4 — CID 163213153

IUPACN-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESC#Cc1cccc(-c2ccc3ncnc(NC4CCC4)c3n2)c1
InChIInChI=1S/C19H16N4/c1-2-13-5-3-6-14(11-13)16-9-10-17-18(23-16)19(21-12-20-17)22-15-7-4-8-15/h1,3,5-6,9-12,15H,4,7-8H2,(H,20,21,22)
InChIKeyYMULGEAXPKMQLH-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.64
Rot. Bonds3

About N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine

N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 163213153) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID163213153
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC NameN-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESC#Cc1cccc(-c2ccc3ncnc(NC4CCC4)c3n2)c1
InChIInChI=1S/C19H16N4/c1-2-13-5-3-6-14(11-13)16-9-10-17-18(23-16)19(21-12-20-17)22-15-7-4-8-15/h1,3,5-6,9-12,15H,4,7-8H2,(H,20,21,22)
InChIKeyYMULGEAXPKMQLH-UHFFFAOYSA-N
XLogP3.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine (CID 163213153) is N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine is C#Cc1cccc(-c2ccc3ncnc(NC4CCC4)c3n2)c1.
What is the InChIKey of N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is YMULGEAXPKMQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-2-13-5-3-6-14(11-13)16-9-10-17-18(23-16)19(21-12-20-17)22-15-7-4-8-15/h1,3,5-6,9-12,15H,4,7-8H2,(H,20,21,22).
What are the key properties of N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine?
N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 300.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-(3-ethynylphenyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 163213153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).