7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine

C15H17N5 — CID 166549467

IUPAC7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine
SMILESCC(C)=CCn1ccc2c3nc(N)nc(N)c3ccc21
InChIInChI=1S/C15H17N5/c1-9(2)5-7-20-8-6-10-12(20)4-3-11-13(10)18-15(17)19-14(11)16/h3-6,8H,7H2,1-2H3,(H4,16,17,18,19)
InChIKeyYFAKXQVTGVFRGE-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.72
Rot. Bonds2

About 7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine

7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine (PubChem CID 166549467) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine
PubChem CID166549467
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine
SMILESCC(C)=CCn1ccc2c3nc(N)nc(N)c3ccc21
InChIInChI=1S/C15H17N5/c1-9(2)5-7-20-8-6-10-12(20)4-3-11-13(10)18-15(17)19-14(11)16/h3-6,8H,7H2,1-2H3,(H4,16,17,18,19)
InChIKeyYFAKXQVTGVFRGE-UHFFFAOYSA-N
XLogP2.72
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
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 7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine?
The IUPAC name of 7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine (CID 166549467) is 7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine.
What is the SMILES notation for 7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine?
The canonical SMILES for 7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine is CC(C)=CCn1ccc2c3nc(N)nc(N)c3ccc21.
What is the InChIKey of 7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine?
The InChIKey is YFAKXQVTGVFRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-9(2)5-7-20-8-6-10-12(20)4-3-11-13(10)18-15(17)19-14(11)16/h3-6,8H,7H2,1-2H3,(H4,16,17,18,19).
What are the key properties of 7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine?
7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine has a molecular weight of 267.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbut-2-enyl)pyrrolo[2,3-h]quinazoline-2,4-diamine is sourced from PubChem (CID 166549467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).