4-(3-propan-2-yloxypropyl)quinazolin-2-amine

C14H19N3O — CID 154004886

IUPAC4-(3-propan-2-yloxypropyl)quinazolin-2-amine
SMILESCC(C)OCCCc1nc(N)nc2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(2)18-9-5-8-13-11-6-3-4-7-12(11)16-14(15)17-13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyGYWYWPOAQUCAGZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.57
Rot. Bonds5

About 4-(3-propan-2-yloxypropyl)quinazolin-2-amine

4-(3-propan-2-yloxypropyl)quinazolin-2-amine (PubChem CID 154004886) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-(3-propan-2-yloxypropyl)quinazolin-2-amine.

Molecular Properties

Compound Name4-(3-propan-2-yloxypropyl)quinazolin-2-amine
PubChem CID154004886
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-(3-propan-2-yloxypropyl)quinazolin-2-amine
SMILESCC(C)OCCCc1nc(N)nc2ccccc12
InChIInChI=1S/C14H19N3O/c1-10(2)18-9-5-8-13-11-6-3-4-7-12(11)16-14(15)17-13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyGYWYWPOAQUCAGZ-UHFFFAOYSA-N
XLogP2.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-propan-2-yloxypropyl)quinazolin-2-amine?
The IUPAC name of 4-(3-propan-2-yloxypropyl)quinazolin-2-amine (CID 154004886) is 4-(3-propan-2-yloxypropyl)quinazolin-2-amine.
What is the SMILES notation for 4-(3-propan-2-yloxypropyl)quinazolin-2-amine?
The canonical SMILES for 4-(3-propan-2-yloxypropyl)quinazolin-2-amine is CC(C)OCCCc1nc(N)nc2ccccc12.
What is the InChIKey of 4-(3-propan-2-yloxypropyl)quinazolin-2-amine?
The InChIKey is GYWYWPOAQUCAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)18-9-5-8-13-11-6-3-4-7-12(11)16-14(15)17-13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-(3-propan-2-yloxypropyl)quinazolin-2-amine?
4-(3-propan-2-yloxypropyl)quinazolin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yloxypropyl)quinazolin-2-amine is sourced from PubChem (CID 154004886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).