4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine

C16H20N6 — CID 71041843

IUPAC4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
SMILESCCCCNc1nc(N)nc2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C16H20N6/c1-3-4-7-18-15-13-8-11(12-9-19-22(2)10-12)5-6-14(13)20-16(17)21-15/h5-6,8-10H,3-4,7H2,1-2H3,(H3,17,18,20,21)
InChIKeyRZMQEUXUFHSKMA-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.82
Rot. Bonds5

About 4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine

4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine (PubChem CID 71041843) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
PubChem CID71041843
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
SMILESCCCCNc1nc(N)nc2ccc(-c3cnn(C)c3)cc12
InChIInChI=1S/C16H20N6/c1-3-4-7-18-15-13-8-11(12-9-19-22(2)10-12)5-6-14(13)20-16(17)21-15/h5-6,8-10H,3-4,7H2,1-2H3,(H3,17,18,20,21)
InChIKeyRZMQEUXUFHSKMA-UHFFFAOYSA-N
XLogP2.82
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine (CID 71041843) is 4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine is CCCCNc1nc(N)nc2ccc(-c3cnn(C)c3)cc12.
What is the InChIKey of 4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine?
The InChIKey is RZMQEUXUFHSKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-3-4-7-18-15-13-8-11(12-9-19-22(2)10-12)5-6-14(13)20-16(17)21-15/h5-6,8-10H,3-4,7H2,1-2H3,(H3,17,18,20,21).
What are the key properties of 4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine?
4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine has a molecular weight of 296.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 71041843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).