2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide

C9H13N5O3S — CID 135398977

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C9H13N5O3S/c1-2-11-8(17)13-7(16)4-18-9-12-5(10)3-6(15)14-9/h3H,2,4H2,1H3,(H3,10,12,14,15)(H2,11,13,16,17)
InChIKeyCBUDEITTYGTEAZ-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.71
Rot. Bonds4

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide (PubChem CID 135398977) has the molecular formula C9H13N5O3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
PubChem CID135398977
Molecular FormulaC9H13N5O3S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C9H13N5O3S/c1-2-11-8(17)13-7(16)4-18-9-12-5(10)3-6(15)14-9/h3H,2,4H2,1H3,(H3,10,12,14,15)(H2,11,13,16,17)
InChIKeyCBUDEITTYGTEAZ-UHFFFAOYSA-N
XLogP-0.71
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide (CID 135398977) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CSc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide?
The InChIKey is CBUDEITTYGTEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3S/c1-2-11-8(17)13-7(16)4-18-9-12-5(10)3-6(15)14-9/h3H,2,4H2,1H3,(H3,10,12,14,15)(H2,11,13,16,17).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide has a molecular weight of 271.30 g/mol, XLogP of -0.71, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 135398977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).