2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide

C14H16N4OS — CID 63919256

IUPAC2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide
SMILESNC(=O)C(N)(CSc1ncnc2ccccc12)C1CC1
InChIInChI=1S/C14H16N4OS/c15-13(19)14(16,9-5-6-9)7-20-12-10-3-1-2-4-11(10)17-8-18-12/h1-4,8-9H,5-7,16H2,(H2,15,19)
InChIKeyQKDLPEGNXLOLFL-UHFFFAOYSA-N
MW288.38 g/mol
LogP1.31
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide

2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide (PubChem CID 63919256) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide
PubChem CID63919256
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide
SMILESNC(=O)C(N)(CSc1ncnc2ccccc12)C1CC1
InChIInChI=1S/C14H16N4OS/c15-13(19)14(16,9-5-6-9)7-20-12-10-3-1-2-4-11(10)17-8-18-12/h1-4,8-9H,5-7,16H2,(H2,15,19)
InChIKeyQKDLPEGNXLOLFL-UHFFFAOYSA-N
XLogP1.31
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide?
The IUPAC name of 2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide (CID 63919256) is 2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide is NC(=O)C(N)(CSc1ncnc2ccccc12)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide?
The InChIKey is QKDLPEGNXLOLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c15-13(19)14(16,9-5-6-9)7-20-12-10-3-1-2-4-11(10)17-8-18-12/h1-4,8-9H,5-7,16H2,(H2,15,19).
What are the key properties of 2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide?
2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide has a molecular weight of 288.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-quinazolin-4-ylsulfanylpropanamide is sourced from PubChem (CID 63919256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).