2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide

C6H9N5O2 — CID 155776253

IUPAC2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESNC(=O)Cc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C6H9N5O2/c7-3(12)1-2-4(8)10-6(9)11-5(2)13/h1H2,(H2,7,12)(H5,8,9,10,11,13)
InChIKeyWLFRIOKUQHYWRF-UHFFFAOYSA-N
MW183.17 g/mol
LogP-2.04
Rot. Bonds2

About 2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide

2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 155776253) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID155776253
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESNC(=O)Cc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C6H9N5O2/c7-3(12)1-2-4(8)10-6(9)11-5(2)13/h1H2,(H2,7,12)(H5,8,9,10,11,13)
InChIKeyWLFRIOKUQHYWRF-UHFFFAOYSA-N
XLogP-2.04
TPSA140.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of 2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 155776253) is 2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide is NC(=O)Cc1c(N)nc(N)[nH]c1=O.
What is the InChIKey of 2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is WLFRIOKUQHYWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c7-3(12)1-2-4(8)10-6(9)11-5(2)13/h1H2,(H2,7,12)(H5,8,9,10,11,13).
What are the key properties of 2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide?
2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 183.17 g/mol, XLogP of -2.04, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 155776253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).