6-pyrrolidin-1-ylquinazolin-4-amine

C12H14N4 — CID 20718876

IUPAC6-pyrrolidin-1-ylquinazolin-4-amine
SMILESNc1ncnc2ccc(N3CCCC3)cc12
InChIInChI=1S/C12H14N4/c13-12-10-7-9(16-5-1-2-6-16)3-4-11(10)14-8-15-12/h3-4,7-8H,1-2,5-6H2,(H2,13,14,15)
InChIKeyCBOZBVJSMAXQPR-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.81
Rot. Bonds1

About 6-pyrrolidin-1-ylquinazolin-4-amine

6-pyrrolidin-1-ylquinazolin-4-amine (PubChem CID 20718876) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-pyrrolidin-1-ylquinazolin-4-amine
PubChem CID20718876
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name6-pyrrolidin-1-ylquinazolin-4-amine
SMILESNc1ncnc2ccc(N3CCCC3)cc12
InChIInChI=1S/C12H14N4/c13-12-10-7-9(16-5-1-2-6-16)3-4-11(10)14-8-15-12/h3-4,7-8H,1-2,5-6H2,(H2,13,14,15)
InChIKeyCBOZBVJSMAXQPR-UHFFFAOYSA-N
XLogP1.81
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylquinazolin-4-amine?
The IUPAC name of 6-pyrrolidin-1-ylquinazolin-4-amine (CID 20718876) is 6-pyrrolidin-1-ylquinazolin-4-amine.
What is the SMILES notation for 6-pyrrolidin-1-ylquinazolin-4-amine?
The canonical SMILES for 6-pyrrolidin-1-ylquinazolin-4-amine is Nc1ncnc2ccc(N3CCCC3)cc12.
What is the InChIKey of 6-pyrrolidin-1-ylquinazolin-4-amine?
The InChIKey is CBOZBVJSMAXQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-12-10-7-9(16-5-1-2-6-16)3-4-11(10)14-8-15-12/h3-4,7-8H,1-2,5-6H2,(H2,13,14,15).
What are the key properties of 6-pyrrolidin-1-ylquinazolin-4-amine?
6-pyrrolidin-1-ylquinazolin-4-amine has a molecular weight of 214.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 20718876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).