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

C18H28N4 — CID 159347736

IUPACmethane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine
SMILESC.C=CCNc1nc(NCCCCC)c2cc(C)ccc2n1
InChIInChI=1S/C17H24N4.CH4/c1-4-6-7-11-18-16-14-12-13(3)8-9-15(14)20-17(21-16)19-10-5-2;/h5,8-9,12H,2,4,6-7,10-11H2,1,3H3,(H2,18,19,20,21);1H4
InChIKeyLGYBVIKUHQBINO-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.77
Rot. Bonds8

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

methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine (PubChem CID 159347736) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine.

Molecular Properties

Compound Namemethane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine
PubChem CID159347736
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Namemethane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine
SMILESC.C=CCNc1nc(NCCCCC)c2cc(C)ccc2n1
InChIInChI=1S/C17H24N4.CH4/c1-4-6-7-11-18-16-14-12-13(3)8-9-15(14)20-17(21-16)19-10-5-2;/h5,8-9,12H,2,4,6-7,10-11H2,1,3H3,(H2,18,19,20,21);1H4
InChIKeyLGYBVIKUHQBINO-UHFFFAOYSA-N
XLogP4.77
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.77
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'}

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Frequently Asked Questions

What is the IUPAC name of methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine?
The IUPAC name of methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine (CID 159347736) is methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine.
What is the SMILES notation for methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine?
The canonical SMILES for methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine is C.C=CCNc1nc(NCCCCC)c2cc(C)ccc2n1.
What is the InChIKey of methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine?
The InChIKey is LGYBVIKUHQBINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.CH4/c1-4-6-7-11-18-16-14-12-13(3)8-9-15(14)20-17(21-16)19-10-5-2;/h5,8-9,12H,2,4,6-7,10-11H2,1,3H3,(H2,18,19,20,21);1H4.
What are the key properties of methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine?
methane;6-methyl-4-N-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine has a molecular weight of 300.45 g/mol, XLogP of 4.77, 8 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-pentyl-2-N-prop-2-enylquinazoline-2,4-diamine is sourced from PubChem (CID 159347736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).