1-propyl-4H-quinazolin-2-amine

C11H15N3 — CID 134155182

IUPAC1-propyl-4H-quinazolin-2-amine
SMILESCCCN1C(N)=NCc2ccccc21
InChIInChI=1S/C11H15N3/c1-2-7-14-10-6-4-3-5-9(10)8-13-11(14)12/h3-6H,2,7-8H2,1H3,(H2,12,13)
InChIKeyCEAGRMSHXHKBRN-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.73
Rot. Bonds2

About 1-propyl-4H-quinazolin-2-amine

1-propyl-4H-quinazolin-2-amine (PubChem CID 134155182) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-propyl-4H-quinazolin-2-amine.

Molecular Properties

Compound Name1-propyl-4H-quinazolin-2-amine
PubChem CID134155182
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-propyl-4H-quinazolin-2-amine
SMILESCCCN1C(N)=NCc2ccccc21
InChIInChI=1S/C11H15N3/c1-2-7-14-10-6-4-3-5-9(10)8-13-11(14)12/h3-6H,2,7-8H2,1H3,(H2,12,13)
InChIKeyCEAGRMSHXHKBRN-UHFFFAOYSA-N
XLogP1.73
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4H-quinazolin-2-amine?
The IUPAC name of 1-propyl-4H-quinazolin-2-amine (CID 134155182) is 1-propyl-4H-quinazolin-2-amine.
What is the SMILES notation for 1-propyl-4H-quinazolin-2-amine?
The canonical SMILES for 1-propyl-4H-quinazolin-2-amine is CCCN1C(N)=NCc2ccccc21.
What is the InChIKey of 1-propyl-4H-quinazolin-2-amine?
The InChIKey is CEAGRMSHXHKBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-7-14-10-6-4-3-5-9(10)8-13-11(14)12/h3-6H,2,7-8H2,1H3,(H2,12,13).
What are the key properties of 1-propyl-4H-quinazolin-2-amine?
1-propyl-4H-quinazolin-2-amine has a molecular weight of 189.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4H-quinazolin-2-amine is sourced from PubChem (CID 134155182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).