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

C11H18N4O2S — CID 63034632

IUPAC4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide
SMILESCCCNC(CCSc1nccc(=O)[nH]1)C(N)=O
InChIInChI=1S/C11H18N4O2S/c1-2-5-13-8(10(12)17)4-7-18-11-14-6-3-9(16)15-11/h3,6,8,13H,2,4-5,7H2,1H3,(H2,12,17)(H,14,15,16)
InChIKeyQHYJDPVGVYGWQO-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.11
Rot. Bonds8

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

4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide (PubChem CID 63034632) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide
PubChem CID63034632
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide
SMILESCCCNC(CCSc1nccc(=O)[nH]1)C(N)=O
InChIInChI=1S/C11H18N4O2S/c1-2-5-13-8(10(12)17)4-7-18-11-14-6-3-9(16)15-11/h3,6,8,13H,2,4-5,7H2,1H3,(H2,12,17)(H,14,15,16)
InChIKeyQHYJDPVGVYGWQO-UHFFFAOYSA-N
XLogP0.11
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide?
The IUPAC name of 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide (CID 63034632) is 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide.
What is the SMILES notation for 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide?
The canonical SMILES for 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide is CCCNC(CCSc1nccc(=O)[nH]1)C(N)=O.
What is the InChIKey of 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide?
The InChIKey is QHYJDPVGVYGWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-5-13-8(10(12)17)4-7-18-11-14-6-3-9(16)15-11/h3,6,8,13H,2,4-5,7H2,1H3,(H2,12,17)(H,14,15,16).
What are the key properties of 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide?
4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide has a molecular weight of 270.36 g/mol, XLogP of 0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-2-(propylamino)butanamide is sourced from PubChem (CID 63034632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).