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

C9H14N4O3 — CID 136713550

IUPAC2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC(N)=O)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H14N4O3/c1-3-13(4-6(10)14)8-7(16-2)9(15)12-5-11-8/h5H,3-4H2,1-2H3,(H2,10,14)(H,11,12,15)
InChIKeySWZKDDOHXWRQHT-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.91
Rot. Bonds5

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

2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide (PubChem CID 136713550) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
PubChem CID136713550
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
SMILESCCN(CC(N)=O)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H14N4O3/c1-3-13(4-6(10)14)8-7(16-2)9(15)12-5-11-8/h5H,3-4H2,1-2H3,(H2,10,14)(H,11,12,15)
InChIKeySWZKDDOHXWRQHT-UHFFFAOYSA-N
XLogP-0.91
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585386
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136728235
4-[2-aminoethyl(2,2-difluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136932126
4-[ethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009244
5-methoxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009571
4-(2-fluoroethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137267632
4-(butan-2-ylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973502
5-methoxy-4-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009086
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 113604641
6-Chloro-5-methoxy-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
CID 113604674
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 113604690
N-carbamoyl-2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)acetamide
CID 114585125

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide (CID 136713550) is 2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide is CCN(CC(N)=O)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
The InChIKey is SWZKDDOHXWRQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-3-13(4-6(10)14)8-7(16-2)9(15)12-5-11-8/h5H,3-4H2,1-2H3,(H2,10,14)(H,11,12,15).
What are the key properties of 2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide?
2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide has a molecular weight of 226.24 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 136713550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).