methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine

C16H24N4 — CID 161032824

IUPACmethane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine
SMILESC.C=CCNc1nc(NC(C)C)c2cc(C)ccc2n1
InChIInChI=1S/C15H20N4.CH4/c1-5-8-16-15-18-13-7-6-11(4)9-12(13)14(19-15)17-10(2)3;/h5-7,9-10H,1,8H2,2-4H3,(H2,16,17,18,19);1H4
InChIKeyTZVSBKBLWDODQL-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.99
Rot. Bonds5

About methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine

methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine (PubChem CID 161032824) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine.

Molecular Properties

Compound Namemethane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine
PubChem CID161032824
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Namemethane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine
SMILESC.C=CCNc1nc(NC(C)C)c2cc(C)ccc2n1
InChIInChI=1S/C15H20N4.CH4/c1-5-8-16-15-18-13-7-6-11(4)9-12(13)14(19-15)17-10(2)3;/h5-7,9-10H,1,8H2,2-4H3,(H2,16,17,18,19);1H4
InChIKeyTZVSBKBLWDODQL-UHFFFAOYSA-N
XLogP3.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.99
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
6-methyl-4-N-(3-methylbut-2-enyl)-2-N-prop-2-enylquinazoline-2,4-diamine
CID 20718704
methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine
CID 159347736
4-N-butyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine
CID 20718728
4-N-heptyl-6-methyl-2-N-prop-2-enylquinazoline-2,4-diamine;methane
CID 157492585
4-(2,2-dimethylhydrazinyl)-6-nitro-N-prop-2-enylquinazolin-2-amine
CID 18326439
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
CID 138683087
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910921
2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
2-chloro-6-ethyl-N-propan-2-ylquinazolin-4-amine
CID 114693032
2-N-phenyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 91966042
4-N-benzyl-6-methyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907957

Frequently Asked Questions

What is the IUPAC name of methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine?
The IUPAC name of methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine (CID 161032824) is methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine.
What is the SMILES notation for methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine?
The canonical SMILES for methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine is C.C=CCNc1nc(NC(C)C)c2cc(C)ccc2n1.
What is the InChIKey of methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine?
The InChIKey is TZVSBKBLWDODQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4.CH4/c1-5-8-16-15-18-13-7-6-11(4)9-12(13)14(19-15)17-10(2)3;/h5-7,9-10H,1,8H2,2-4H3,(H2,16,17,18,19);1H4.
What are the key properties of methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine?
methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methyl-4-N-propan-2-yl-2-N-prop-2-enylquinazoline-2,4-diamine is sourced from PubChem (CID 161032824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).