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

C6H9N5O2 — CID 135789704

IUPACN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C6H9N5O2/c1-2(12)9-3-4(7)10-6(8)11-5(3)13/h1H3,(H,9,12)(H5,7,8,10,11,13)
InChIKeyUEHJBHRJWPYURG-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.11
Rot. Bonds1

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

N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 135789704) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID135789704
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C6H9N5O2/c1-2(12)9-3-4(7)10-6(8)11-5(3)13/h1H3,(H,9,12)(H5,7,8,10,11,13)
InChIKeyUEHJBHRJWPYURG-UHFFFAOYSA-N
XLogP-1.11
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 135789704) is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide is CC(=O)Nc1c(N)nc(N)[nH]c1=O.
What is the InChIKey of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is UEHJBHRJWPYURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-2(12)9-3-4(7)10-6(8)11-5(3)13/h1H3,(H,9,12)(H5,7,8,10,11,13).
What are the key properties of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 183.17 g/mol, XLogP of -1.11, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135789704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).