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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Related Compounds

2-N-methyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80764587
2-[[2-(methylamino)quinazolin-4-yl]-propylamino]ethanol
CID 80795390
2-N,4-N-dimethyl-4-N-pentan-3-ylquinazoline-2,4-diamine
CID 80792804
2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine
CID 80894334
2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine
CID 80776365
2-[(2-hydrazinylquinazolin-4-yl)-methylamino]ethanol
CID 80943316
2-N-ethyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80763784
N'-(2-hydrazinylquinazolin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 80909502
3-[[2-(ethylamino)quinazolin-4-yl]-methylamino]-N-methylpropanamide
CID 106918473
N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 55054429
2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80798383
2-N,4-N-dimethyl-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 80796036

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).