4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine

C16H24N4 — CID 64587916

IUPAC4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine
SMILESCCCCCN(c1ncnc2ccc(N)cc12)C(C)C
InChIInChI=1S/C16H24N4/c1-4-5-6-9-20(12(2)3)16-14-10-13(17)7-8-15(14)18-11-19-16/h7-8,10-12H,4-6,9,17H2,1-3H3
InChIKeyQMNRDMZBRVMWFO-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.62
Rot. Bonds6

About 4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine

4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine (PubChem CID 64587916) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine
PubChem CID64587916
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine
SMILESCCCCCN(c1ncnc2ccc(N)cc12)C(C)C
InChIInChI=1S/C16H24N4/c1-4-5-6-9-20(12(2)3)16-14-10-13(17)7-8-15(14)18-11-19-16/h7-8,10-12H,4-6,9,17H2,1-3H3
InChIKeyQMNRDMZBRVMWFO-UHFFFAOYSA-N
XLogP3.62
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine?
The IUPAC name of 4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine (CID 64587916) is 4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine?
The canonical SMILES for 4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine is CCCCCN(c1ncnc2ccc(N)cc12)C(C)C.
What is the InChIKey of 4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine?
The InChIKey is QMNRDMZBRVMWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-5-6-9-20(12(2)3)16-14-10-13(17)7-8-15(14)18-11-19-16/h7-8,10-12H,4-6,9,17H2,1-3H3.
What are the key properties of 4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine?
4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine is sourced from PubChem (CID 64587916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).