1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide

C13H15N5O — CID 80765389

IUPAC1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1nc(N)nc2ccccc12
InChIInChI=1S/C13H15N5O/c14-11(19)10-6-3-7-18(10)12-8-4-1-2-5-9(8)16-13(15)17-12/h1-2,4-5,10H,3,6-7H2,(H2,14,19)(H2,15,16,17)
InChIKeyYRDWJMVQDBBGIS-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.67
Rot. Bonds2

About 1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide

1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 80765389) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
PubChem CID80765389
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1nc(N)nc2ccccc12
InChIInChI=1S/C13H15N5O/c14-11(19)10-6-3-7-18(10)12-8-4-1-2-5-9(8)16-13(15)17-12/h1-2,4-5,10H,3,6-7H2,(H2,14,19)(H2,15,16,17)
InChIKeyYRDWJMVQDBBGIS-UHFFFAOYSA-N
XLogP0.67
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 40810173
(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 2573801
(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 34039994
1-(2-aminoquinazolin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198659
1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 103323978
1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 62477865
2-(2-carbamoylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477869
4-pyrrolidin-1-ylquinazolin-2-amine
CID 57342786
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491
(2S)-1-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;sulfane
CID 158883891
4-(azepan-1-yl)quinazolin-2-amine
CID 80764088
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide (CID 80765389) is 1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1nc(N)nc2ccccc12.
What is the InChIKey of 1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is YRDWJMVQDBBGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-11(19)10-6-3-7-18(10)12-8-4-1-2-5-9(8)16-13(15)17-12/h1-2,4-5,10H,3,6-7H2,(H2,14,19)(H2,15,16,17).
What are the key properties of 1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide?
1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 80765389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).