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

C8H10ClN3O3 — CID 136974095

IUPACethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H10ClN3O3/c1-2-15-5(13)3-10-7-6(9)8(14)12-4-11-7/h4H,2-3H2,1H3,(H2,10,11,12,14)
InChIKeyJWDFUFSUEUVOHU-UHFFFAOYSA-N
MW231.64 g/mol
LogP0.40
Rot. Bonds4

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

ethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate (PubChem CID 136974095) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is ethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate
PubChem CID136974095
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Nameethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H10ClN3O3/c1-2-15-5(13)3-10-7-6(9)8(14)12-4-11-7/h4H,2-3H2,1H3,(H2,10,11,12,14)
InChIKeyJWDFUFSUEUVOHU-UHFFFAOYSA-N
XLogP0.40
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 133624401
5-chloro-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
CID 136713912
5-chloro-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820292
5-chloro-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954500
ethyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136956149
ethyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136956151
ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136956152
5-chloro-4-[1-methoxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
CID 136971017
5-chloro-4-(2-methoxyethylamino)-1H-pyrimidin-6-one
CID 136973495
5-chloro-4-(1-methoxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136973594
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136973720
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136973958

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate (CID 136974095) is ethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate is CCOC(=O)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of ethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The InChIKey is JWDFUFSUEUVOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-2-15-5(13)3-10-7-6(9)8(14)12-4-11-7/h4H,2-3H2,1H3,(H2,10,11,12,14).
What are the key properties of ethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
ethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate has a molecular weight of 231.64 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 136974095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).