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

C8H10ClN3O3 — CID 137007500

IUPACmethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H10ClN3O3/c1-12(3-5(13)15-2)7-6(9)8(14)11-4-10-7/h4H,3H2,1-2H3,(H,10,11,14)
InChIKeyGPSBKPIGEUSWPI-UHFFFAOYSA-N
MW231.64 g/mol
LogP0.03
Rot. Bonds3

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

methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate (PubChem CID 137007500) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
PubChem CID137007500
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Namemethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C8H10ClN3O3/c1-12(3-5(13)15-2)7-6(9)8(14)11-4-10-7/h4H,3H2,1-2H3,(H,10,11,14)
InChIKeyGPSBKPIGEUSWPI-UHFFFAOYSA-N
XLogP0.03
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007498
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 137009190
5-chloro-4-[2,2-dimethylpropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009363
5-chloro-4-[2,2-difluoroethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009951
4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137009015
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136973720
4-[benzyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 136970695
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetate
CID 137007634
methyl 3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanoate
CID 137007656
ethyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007638
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 136989946
5-chloro-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136981165

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate?
The IUPAC name of methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate (CID 137007500) is methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate is COC(=O)CN(C)c1nc[nH]c(=O)c1Cl.
What is the InChIKey of methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate?
The InChIKey is GPSBKPIGEUSWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-12(3-5(13)15-2)7-6(9)8(14)11-4-10-7/h4H,3H2,1-2H3,(H,10,11,14).
What are the key properties of methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate?
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate has a molecular weight of 231.64 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate is sourced from PubChem (CID 137007500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).