2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine

C16H17N5 — CID 11848807

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine
SMILESC=CCNc1nc(-n2nc(C)cc2C)nc2ccccc12
InChIInChI=1S/C16H17N5/c1-4-9-17-15-13-7-5-6-8-14(13)18-16(19-15)21-12(3)10-11(2)20-21/h4-8,10H,1,9H2,2-3H3,(H,17,18,19)
InChIKeyBSRILGPBAWWUPA-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.03
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine

2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine (PubChem CID 11848807) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine
PubChem CID11848807
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine
SMILESC=CCNc1nc(-n2nc(C)cc2C)nc2ccccc12
InChIInChI=1S/C16H17N5/c1-4-9-17-15-13-7-5-6-8-14(13)18-16(19-15)21-12(3)10-11(2)20-21/h4-8,10H,1,9H2,2-3H3,(H,17,18,19)
InChIKeyBSRILGPBAWWUPA-UHFFFAOYSA-N
XLogP3.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine (CID 11848807) is 2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine is C=CCNc1nc(-n2nc(C)cc2C)nc2ccccc12.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine?
The InChIKey is BSRILGPBAWWUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-4-9-17-15-13-7-5-6-8-14(13)18-16(19-15)21-12(3)10-11(2)20-21/h4-8,10H,1,9H2,2-3H3,(H,17,18,19).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine?
2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine has a molecular weight of 279.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylquinazolin-4-amine is sourced from PubChem (CID 11848807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).