6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine

C15H20N4 — CID 20718710

IUPAC6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine
SMILESC=CCNc1nc(NCCC)c2cc(C)ccc2n1
InChIInChI=1S/C15H20N4/c1-4-8-16-14-12-10-11(3)6-7-13(12)18-15(19-14)17-9-5-2/h5-7,10H,2,4,8-9H2,1,3H3,(H2,16,17,18,19)
InChIKeyTYWIZZJTAXZIMO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.36
Rot. Bonds6

About 6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine

6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine (PubChem CID 20718710) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine
PubChem CID20718710
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine
SMILESC=CCNc1nc(NCCC)c2cc(C)ccc2n1
InChIInChI=1S/C15H20N4/c1-4-8-16-14-12-10-11(3)6-7-13(12)18-15(19-14)17-9-5-2/h5-7,10H,2,4,8-9H2,1,3H3,(H2,16,17,18,19)
InChIKeyTYWIZZJTAXZIMO-UHFFFAOYSA-N
XLogP3.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine
CID 20718728
methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine
CID 159347736
4-N-heptyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine;methane
CID 157492585
6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine
CID 20718704
methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine
CID 161032824
4-N-methyl-6-nitro-2-N-prop-2-enylquinazoline-2,4-diamine
CID 18326558
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
CID 138683087
4-(2,2-dimethylhydrazinyl)-6-nitro-N-prop-2-enylquinazolin-2-amine
CID 18326439
N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981586
5-[[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]amino]pentan-2-one
CID 159004026
3-N-prop-2-enyl-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938292
2-methyl-N-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63479722

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine?
The IUPAC name of 6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine (CID 20718710) is 6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine is C=CCNc1nc(NCCC)c2cc(C)ccc2n1.
What is the InChIKey of 6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine?
The InChIKey is TYWIZZJTAXZIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-4-8-16-14-12-10-11(3)6-7-13(12)18-15(19-14)17-9-5-2/h5-7,10H,2,4,8-9H2,1,3H3,(H2,16,17,18,19).
What are the key properties of 6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine?
6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine is sourced from PubChem (CID 20718710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).