1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C15H19N5O — CID 106322406

IUPAC1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(N)nc3ccccc23)C1
InChIInChI=1S/C15H19N5O/c1-15(13(21)17-2)7-8-20(9-15)12-10-5-3-4-6-11(10)18-14(16)19-12/h3-6H,7-9H2,1-2H3,(H,17,21)(H2,16,18,19)
InChIKeyQDPFKMAXMHEDPK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.17
Rot. Bonds2

About 1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106322406) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106322406
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(N)nc3ccccc23)C1
InChIInChI=1S/C15H19N5O/c1-15(13(21)17-2)7-8-20(9-15)12-10-5-3-4-6-11(10)18-14(16)19-12/h3-6H,7-9H2,1-2H3,(H,17,21)(H2,16,18,19)
InChIKeyQDPFKMAXMHEDPK-UHFFFAOYSA-N
XLogP1.17
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloroquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321073
1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322468
5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 106321433
1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317572
3-amino-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106321390
1-(8-aminoquinolin-5-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317610
1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321009
4-pyrrolidin-1-ylquinazolin-2-amine
CID 57342786
1-(3-amino-5-bromo-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317398
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389
4-(azepan-1-yl)quinazolin-2-amine
CID 80764088
3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
CID 122052354

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106322406) is 1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nc(N)nc3ccccc23)C1.
What is the InChIKey of 1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is QDPFKMAXMHEDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(13(21)17-2)7-8-20(9-15)12-10-5-3-4-6-11(10)18-14(16)19-12/h3-6H,7-9H2,1-2H3,(H,17,21)(H2,16,18,19).
What are the key properties of 1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.17, 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)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106322406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).