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

C7H8ClN3O3 — CID 136973720

IUPACmethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H8ClN3O3/c1-14-4(12)2-9-6-5(8)7(13)11-3-10-6/h3H,2H2,1H3,(H2,9,10,11,13)
InChIKeyPSJCKMAQPISGRP-UHFFFAOYSA-N
MW217.61 g/mol
LogP0.01
Rot. Bonds3

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

methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate (PubChem CID 136973720) has the molecular formula C7H8ClN3O3 and a molecular weight of 217.61 g/mol. Its IUPAC name is methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate
PubChem CID136973720
Molecular FormulaC7H8ClN3O3
Molecular Weight217.61 g/mol
Exact Mass217.03
IUPAC Namemethyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H8ClN3O3/c1-14-4(12)2-9-6-5(8)7(13)11-3-10-6/h3H,2H2,1H3,(H2,9,10,11,13)
InChIKeyPSJCKMAQPISGRP-UHFFFAOYSA-N
XLogP0.01
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(2-chloroprop-2-enylamino)-1H-pyrimidin-6-one
CID 136976977
5-chloro-4-(2-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136973947
5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856
5-chloro-4-(2-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136977253
5-chloro-4-(3-chloropropylamino)-1H-pyrimidin-6-one
CID 136971845
4-[(3-amino-2,2-dimethylpropyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008656
4-[[(E)-but-2-enyl]amino]-5-chloro-1H-pyrimidin-6-one
CID 137259056
5-chloro-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819393
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007500
5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880885
3-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 136974238
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyrimidin-6-one
CID 136976712

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate (CID 136973720) is methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate is COC(=O)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The InChIKey is PSJCKMAQPISGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O3/c1-14-4(12)2-9-6-5(8)7(13)11-3-10-6/h3H,2H2,1H3,(H2,9,10,11,13).
What are the key properties of methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate has a molecular weight of 217.61 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 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)amino]acetate is sourced from PubChem (CID 136973720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).