2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C13H22N4 — CID 62191134

IUPAC2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCCCNc1nc(N(C)C)nc2c1CCCC2
InChIInChI=1S/C13H22N4/c1-4-9-14-12-10-7-5-6-8-11(10)15-13(16-12)17(2)3/h4-9H2,1-3H3,(H,14,15,16)
InChIKeyXVJMLNUHGIXRDD-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.24
Rot. Bonds4

About 2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 62191134) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID62191134
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCCCNc1nc(N(C)C)nc2c1CCCC2
InChIInChI=1S/C13H22N4/c1-4-9-14-12-10-7-5-6-8-11(10)15-13(16-12)17(2)3/h4-9H2,1-3H3,(H,14,15,16)
InChIKeyXVJMLNUHGIXRDD-UHFFFAOYSA-N
XLogP2.24
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-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 2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 62191134) is 2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is CCCNc1nc(N(C)C)nc2c1CCCC2.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is XVJMLNUHGIXRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-9-14-12-10-7-5-6-8-11(10)15-13(16-12)17(2)3/h4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-propyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 62191134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).