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

C14H19N5O5 — CID 158441263

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate;prop-2-enamide
SMILESC=CC(=O)OCCNC(=O)Nc1nc(C)cc(=O)[nH]1.C=CC(N)=O
InChIInChI=1S/C11H14N4O4.C3H5NO/c1-3-9(17)19-5-4-12-11(18)15-10-13-7(2)6-8(16)14-10;1-2-3(4)5/h3,6H,1,4-5H2,2H3,(H3,12,13,14,15,16,18);2H,1H2,(H2,4,5)
InChIKeyHCVOGKFDMYZPTK-UHFFFAOYSA-N
MW337.34 g/mol
LogP-0.41
Rot. Bonds6

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

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate;prop-2-enamide (PubChem CID 158441263) has the molecular formula C14H19N5O5 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate;prop-2-enamide.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate;prop-2-enamide
PubChem CID158441263
Molecular FormulaC14H19N5O5
Molecular Weight337.34 g/mol
Exact Mass337.14
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate;prop-2-enamide
SMILESC=CC(=O)OCCNC(=O)Nc1nc(C)cc(=O)[nH]1.C=CC(N)=O
InChIInChI=1S/C11H14N4O4.C3H5NO/c1-3-9(17)19-5-4-12-11(18)15-10-13-7(2)6-8(16)14-10;1-2-3(4)5/h3,6H,1,4-5H2,2H3,(H3,12,13,14,15,16,18);2H,1H2,(H2,4,5)
InChIKeyHCVOGKFDMYZPTK-UHFFFAOYSA-N
XLogP-0.41
TPSA156.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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;prop-2-enamide?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate;prop-2-enamide (CID 158441263) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate;prop-2-enamide.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate;prop-2-enamide?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate;prop-2-enamide is C=CC(=O)OCCNC(=O)Nc1nc(C)cc(=O)[nH]1.C=CC(N)=O.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate;prop-2-enamide?
The InChIKey is HCVOGKFDMYZPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4.C3H5NO/c1-3-9(17)19-5-4-12-11(18)15-10-13-7(2)6-8(16)14-10;1-2-3(4)5/h3,6H,1,4-5H2,2H3,(H3,12,13,14,15,16,18);2H,1H2,(H2,4,5).
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate;prop-2-enamide?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl prop-2-enoate;prop-2-enamide has a molecular weight of 337.34 g/mol, XLogP of -0.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 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;prop-2-enamide is sourced from PubChem (CID 158441263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).