2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine

C13H18N4 — CID 80776135

IUPAC2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine
SMILESCCCN(C)c1nc(NC)nc2ccccc12
InChIInChI=1S/C13H18N4/c1-4-9-17(3)12-10-7-5-6-8-11(10)15-13(14-2)16-12/h5-8H,4,9H2,1-3H3,(H,14,15,16)
InChIKeyZGWJXOVXTJPSBM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.52
Rot. Bonds4

About 2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine

2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine (PubChem CID 80776135) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine
PubChem CID80776135
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine
SMILESCCCN(C)c1nc(NC)nc2ccccc12
InChIInChI=1S/C13H18N4/c1-4-9-17(3)12-10-7-5-6-8-11(10)15-13(14-2)16-12/h5-8H,4,9H2,1-3H3,(H,14,15,16)
InChIKeyZGWJXOVXTJPSBM-UHFFFAOYSA-N
XLogP2.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine (CID 80776135) is 2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine is CCCN(C)c1nc(NC)nc2ccccc12.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine?
The InChIKey is ZGWJXOVXTJPSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-4-9-17(3)12-10-7-5-6-8-11(10)15-13(14-2)16-12/h5-8H,4,9H2,1-3H3,(H,14,15,16).
What are the key properties of 2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine?
2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine is sourced from PubChem (CID 80776135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).