2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide

C8H10ClN5O3 — CID 136971259

IUPAC2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H10ClN5O3/c9-6-7(12-3-13-8(6)17)14(1-4(10)15)2-5(11)16/h3H,1-2H2,(H2,10,15)(H2,11,16)(H,12,13,17)
InChIKeyGWORMIKIEKFJRB-UHFFFAOYSA-N
MW259.65 g/mol
LogP-1.80
Rot. Bonds5

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

2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide (PubChem CID 136971259) has the molecular formula C8H10ClN5O3 and a molecular weight of 259.65 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
PubChem CID136971259
Molecular FormulaC8H10ClN5O3
Molecular Weight259.65 g/mol
Exact Mass259.05
IUPAC Name2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H10ClN5O3/c9-6-7(12-3-13-8(6)17)14(1-4(10)15)2-5(11)16/h3H,1-2H2,(H2,10,15)(H2,11,16)(H,12,13,17)
InChIKeyGWORMIKIEKFJRB-UHFFFAOYSA-N
XLogP-1.80
TPSA135.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide (CID 136971259) is 2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide is NC(=O)CN(CC(N)=O)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The InChIKey is GWORMIKIEKFJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O3/c9-6-7(12-3-13-8(6)17)14(1-4(10)15)2-5(11)16/h3H,1-2H2,(H2,10,15)(H2,11,16)(H,12,13,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide has a molecular weight of 259.65 g/mol, XLogP of -1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 136971259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).