methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate

C13H17N3O5 — CID 137007673

IUPACmethyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H17N3O5/c1-20-11(18)6-16(7-12(19)21-2)9-5-10(17)15-13(14-9)8-3-4-8/h5,8H,3-4,6-7H2,1-2H3,(H,14,15,17)
InChIKeyLYGRZHHIDMPAPP-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.20
Rot. Bonds6

About methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 137007673) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID137007673
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Namemethyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H17N3O5/c1-20-11(18)6-16(7-12(19)21-2)9-5-10(17)15-13(14-9)8-3-4-8/h5,8H,3-4,6-7H2,1-2H3,(H,14,15,17)
InChIKeyLYGRZHHIDMPAPP-UHFFFAOYSA-N
XLogP-0.20
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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Related Compounds

methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007497
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
CID 136958564
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009357
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 137009112
4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137009734
2-[butan-2-yl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958534
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 136958657
2-cyclopropyl-4-[5-hydroxypentyl(methyl)amino]-1H-pyrimidin-6-one
CID 136766326
3-[cyclopropyl-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]propanenitrile
CID 136972967
2-cyclopropyl-4-[3-hydroxypropyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136989571
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 136959362
4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136979194

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 137007673) is methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is LYGRZHHIDMPAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-20-11(18)6-16(7-12(19)21-2)9-5-10(17)15-13(14-9)8-3-4-8/h5,8H,3-4,6-7H2,1-2H3,(H,14,15,17).
What are the key properties of methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 295.30 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 137007673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).