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

C11H14N4O4 — CID 136669378

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H14N4O4/c1-3-9(17)19-5-4-12-11(18)15-10-13-7(2)6-8(16)14-10/h3,6H,1,4-5H2,2H3,(H3,12,13,14,15,16,18)
InChIKeyUGFYLUGFKVDBCC-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.07
Rot. Bonds5

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

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate (PubChem CID 136669378) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate
PubChem CID136669378
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H14N4O4/c1-3-9(17)19-5-4-12-11(18)15-10-13-7(2)6-8(16)14-10/h3,6H,1,4-5H2,2H3,(H3,12,13,14,15,16,18)
InChIKeyUGFYLUGFKVDBCC-UHFFFAOYSA-N
XLogP-0.07
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate (CID 136669378) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate?
The InChIKey is UGFYLUGFKVDBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-3-9(17)19-5-4-12-11(18)15-10-13-7(2)6-8(16)14-10/h3,6H,1,4-5H2,2H3,(H3,12,13,14,15,16,18).
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate has a molecular weight of 266.26 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate is sourced from PubChem (CID 136669378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).