N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide

C6H7ClN4O2 — CID 135454048

IUPACN-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(Cl)nc(N)[nH]c1=O
InChIInChI=1S/C6H7ClN4O2/c1-2(12)9-3-4(7)10-6(8)11-5(3)13/h1H3,(H,9,12)(H3,8,10,11,13)
InChIKeyFESOPUJFJLFPPO-UHFFFAOYSA-N
MW202.60 g/mol
LogP-0.04
Rot. Bonds1

About N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide

N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 135454048) has the molecular formula C6H7ClN4O2 and a molecular weight of 202.60 g/mol. Its IUPAC name is N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID135454048
Molecular FormulaC6H7ClN4O2
Molecular Weight202.60 g/mol
Exact Mass202.03
IUPAC NameN-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(Cl)nc(N)[nH]c1=O
InChIInChI=1S/C6H7ClN4O2/c1-2(12)9-3-4(7)10-6(8)11-5(3)13/h1H3,(H,9,12)(H3,8,10,11,13)
InChIKeyFESOPUJFJLFPPO-UHFFFAOYSA-N
XLogP-0.04
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 135454048) is N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide is CC(=O)Nc1c(Cl)nc(N)[nH]c1=O.
What is the InChIKey of N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is FESOPUJFJLFPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O2/c1-2(12)9-3-4(7)10-6(8)11-5(3)13/h1H3,(H,9,12)(H3,8,10,11,13).
What are the key properties of N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 202.60 g/mol, XLogP of -0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135454048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).