4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine

C14H20N4 — CID 80796340

IUPAC4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine
SMILESCC(C)CCN(C)c1nc(N)nc2ccccc12
InChIInChI=1S/C14H20N4/c1-10(2)8-9-18(3)13-11-6-4-5-7-12(11)16-14(15)17-13/h4-7,10H,8-9H2,1-3H3,(H2,15,16,17)
InChIKeyGAPDJUKYIVHKDD-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.69
Rot. Bonds4

About 4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine

4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine (PubChem CID 80796340) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine
PubChem CID80796340
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine
SMILESCC(C)CCN(C)c1nc(N)nc2ccccc12
InChIInChI=1S/C14H20N4/c1-10(2)8-9-18(3)13-11-6-4-5-7-12(11)16-14(15)17-13/h4-7,10H,8-9H2,1-3H3,(H2,15,16,17)
InChIKeyGAPDJUKYIVHKDD-UHFFFAOYSA-N
XLogP2.69
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-methyl-4-N-(3-methylbutyl)quinazoline-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

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine (CID 80796340) is 4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine is CC(C)CCN(C)c1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine?
The InChIKey is GAPDJUKYIVHKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)8-9-18(3)13-11-6-4-5-7-12(11)16-14(15)17-13/h4-7,10H,8-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine?
4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80796340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).