4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine

C13H16N4 — CID 80826223

IUPAC4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NC2CCC2)c2ccccc2n1
InChIInChI=1S/C13H16N4/c1-14-13-16-11-8-3-2-7-10(11)12(17-13)15-9-5-4-6-9/h2-3,7-9H,4-6H2,1H3,(H2,14,15,16,17)
InChIKeyBNJIATVWALAKEJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.64
Rot. Bonds3

About 4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine

4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine (PubChem CID 80826223) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
PubChem CID80826223
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NC2CCC2)c2ccccc2n1
InChIInChI=1S/C13H16N4/c1-14-13-16-11-8-3-2-7-10(11)12(17-13)15-9-5-4-6-9/h2-3,7-9H,4-6H2,1H3,(H2,14,15,16,17)
InChIKeyBNJIATVWALAKEJ-UHFFFAOYSA-N
XLogP2.64
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine (CID 80826223) is 4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine is CNc1nc(NC2CCC2)c2ccccc2n1.
What is the InChIKey of 4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine?
The InChIKey is BNJIATVWALAKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-14-13-16-11-8-3-2-7-10(11)12(17-13)15-9-5-4-6-9/h2-3,7-9H,4-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine?
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80826223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).