6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine

C17H22N4 — CID 20718704

IUPAC6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine
SMILESC=CCNc1nc(NCC=C(C)C)c2cc(C)ccc2n1
InChIInChI=1S/C17H22N4/c1-5-9-19-17-20-15-7-6-13(4)11-14(15)16(21-17)18-10-8-12(2)3/h5-8,11H,1,9-10H2,2-4H3,(H2,18,19,20,21)
InChIKeyDRPHUYNYGREGSA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.91
Rot. Bonds6

About 6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine

6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine (PubChem CID 20718704) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine
PubChem CID20718704
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine
SMILESC=CCNc1nc(NCC=C(C)C)c2cc(C)ccc2n1
InChIInChI=1S/C17H22N4/c1-5-9-19-17-20-15-7-6-13(4)11-14(15)16(21-17)18-10-8-12(2)3/h5-8,11H,1,9-10H2,2-4H3,(H2,18,19,20,21)
InChIKeyDRPHUYNYGREGSA-UHFFFAOYSA-N
XLogP3.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.91
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

6-methyl-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine
CID 20718710
4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine
CID 20718728
methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine
CID 161032824
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
N-[6-nitro-4-(prop-2-enylamino)quinazolin-2-yl]acetamide
CID 18326497
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
2,4-dimethyl-N-(3-methylbut-2-enyl)aniline
CID 103604357
2-chloro-4-methyl-N-(3-methylbut-2-enyl)aniline
CID 103604374
5-[[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]amino]pentan-2-one
CID 159004026

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine (CID 20718704) is 6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine is C=CCNc1nc(NCC=C(C)C)c2cc(C)ccc2n1.
What is the InChIKey of 6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine?
The InChIKey is DRPHUYNYGREGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-5-9-19-17-20-15-7-6-13(4)11-14(15)16(21-17)18-10-8-12(2)3/h5-8,11H,1,9-10H2,2-4H3,(H2,18,19,20,21).
What are the key properties of 6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine?
6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine is sourced from PubChem (CID 20718704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).