4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine

C16H22N4 — CID 20718728

IUPAC4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine
SMILESC=CCNc1nc(NCCCC)c2cc(C)ccc2n1
InChIInChI=1S/C16H22N4/c1-4-6-10-17-15-13-11-12(3)7-8-14(13)19-16(20-15)18-9-5-2/h5,7-8,11H,2,4,6,9-10H2,1,3H3,(H2,17,18,19,20)
InChIKeyNQBKJBLJRMNUAD-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.75
Rot. Bonds7

About 4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine

4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine (PubChem CID 20718728) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine
PubChem CID20718728
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine
SMILESC=CCNc1nc(NCCCC)c2cc(C)ccc2n1
InChIInChI=1S/C16H22N4/c1-4-6-10-17-15-13-11-12(3)7-8-14(13)19-16(20-15)18-9-5-2/h5,7-8,11H,2,4,6,9-10H2,1,3H3,(H2,17,18,19,20)
InChIKeyNQBKJBLJRMNUAD-UHFFFAOYSA-N
XLogP3.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine with MolForge

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Related Compounds

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-2-N-prop-2-enyl-4-N-propylquinazoline-2,4-diamine
CID 20718710
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
N-[4-(butylamino)-6-(4-chlorophenyl)quinazolin-2-yl]acetamide
CID 69015295
4-N-methyl-6-nitro-2-N-prop-2-enylquinazoline-2,4-diamine
CID 18326558
5-[[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]amino]pentan-2-one
CID 159004026
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
6-N-butyl-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 23486666
2-(butylamino)-4-methylbenzaldehyde
CID 154316528

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine?
The IUPAC name of 4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine (CID 20718728) is 4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine is C=CCNc1nc(NCCCC)c2cc(C)ccc2n1.
What is the InChIKey of 4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine?
The InChIKey is NQBKJBLJRMNUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-6-10-17-15-13-11-12(3)7-8-14(13)19-16(20-15)18-9-5-2/h5,7-8,11H,2,4,6,9-10H2,1,3H3,(H2,17,18,19,20).
What are the key properties of 4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine?
4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine is sourced from PubChem (CID 20718728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).