ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate

C10H14N4O4 — CID 136723287

IUPACethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O4/c1-3-18-8(16)5-11-10(17)14-9-12-6(2)4-7(15)13-9/h4H,3,5H2,1-2H3,(H3,11,12,13,14,15,17)
InChIKeySBMJBABNKVWMPY-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.24
Rot. Bonds4

About ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate

ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate (PubChem CID 136723287) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate
PubChem CID136723287
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Nameethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C10H14N4O4/c1-3-18-8(16)5-11-10(17)14-9-12-6(2)4-7(15)13-9/h4H,3,5H2,1-2H3,(H3,11,12,13,14,15,17)
InChIKeySBMJBABNKVWMPY-UHFFFAOYSA-N
XLogP-0.24
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ureido)ethyl methacrylate
CID 135697999
Ethyl (6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetate
CID 23244914
methyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate
CID 136741316
ethyl 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetate
CID 136741382
3-Methyl-2-propenoic acid-2-[[[(1,4-dihydro-6-methyl-4-oxo-2-pyrimidinyl)amino]carbonyl]amino]ethyl ester
CID 136344124
Butyl 1,6-dihydro-2-[(2-methoxyethyl)amino]-6-oxo-4-pyrimidinecarboxylate
CID 136394993
1-(2,5,8,11,14,17,20-Heptaoxadocosan-22-yl)-3-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea
CID 136408160
ethyl 2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoylamino]acetate
CID 136489620
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate
CID 136669378
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl 2-iodoprop-2-enoate
CID 138566514
ethyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate
CID 146387677
methyl 3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propanoate
CID 156282886

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate (CID 136723287) is ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate?
The InChIKey is SBMJBABNKVWMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-3-18-8(16)5-11-10(17)14-9-12-6(2)4-7(15)13-9/h4H,3,5H2,1-2H3,(H3,11,12,13,14,15,17).
What are the key properties of ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate?
ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate has a molecular weight of 254.25 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]acetate is sourced from PubChem (CID 136723287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).