2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide

C11H16N4O2S — CID 55143201

IUPAC2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide
SMILESNC(=O)C(CCSc1nccc(=O)[nH]1)NC1CC1
InChIInChI=1S/C11H16N4O2S/c12-10(17)8(14-7-1-2-7)4-6-18-11-13-5-3-9(16)15-11/h3,5,7-8,14H,1-2,4,6H2,(H2,12,17)(H,13,15,16)
InChIKeyIFJVEJGFOKUPHU-UHFFFAOYSA-N
MW268.34 g/mol
LogP-0.14
Rot. Bonds7

About 2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide

2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide (PubChem CID 55143201) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide
PubChem CID55143201
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide
SMILESNC(=O)C(CCSc1nccc(=O)[nH]1)NC1CC1
InChIInChI=1S/C11H16N4O2S/c12-10(17)8(14-7-1-2-7)4-6-18-11-13-5-3-9(16)15-11/h3,5,7-8,14H,1-2,4,6H2,(H2,12,17)(H,13,15,16)
InChIKeyIFJVEJGFOKUPHU-UHFFFAOYSA-N
XLogP-0.14
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide (CID 55143201) is 2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide is NC(=O)C(CCSc1nccc(=O)[nH]1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide?
The InChIKey is IFJVEJGFOKUPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-10(17)8(14-7-1-2-7)4-6-18-11-13-5-3-9(16)15-11/h3,5,7-8,14H,1-2,4,6H2,(H2,12,17)(H,13,15,16).
What are the key properties of 2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide?
2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide has a molecular weight of 268.34 g/mol, XLogP of -0.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 55143201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).