2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate

C11H14N4O3 — CID 66827300

IUPAC2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)Nc1ncccn1
InChIInChI=1S/C11H14N4O3/c1-8(2)9(16)18-7-6-14-11(17)15-10-12-4-3-5-13-10/h3-5H,1,6-7H2,2H3,(H2,12,13,14,15,17)
InChIKeyMTTFSLDJMSDJKJ-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.72
Rot. Bonds5

About 2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate

2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 66827300) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate
PubChem CID66827300
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)Nc1ncccn1
InChIInChI=1S/C11H14N4O3/c1-8(2)9(16)18-7-6-14-11(17)15-10-12-4-3-5-13-10/h3-5H,1,6-7H2,2H3,(H2,12,13,14,15,17)
InChIKeyMTTFSLDJMSDJKJ-UHFFFAOYSA-N
XLogP0.72
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
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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Related Compounds

2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464278
4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]benzoic acid
CID 18668282
2-[[4-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 59017101
2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 158258560
2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 102076658
2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 166799947
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-[(4-aminobenzoyl)amino]ethyl 2-methylprop-2-enoate
CID 118056637
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 102527668
2-(1-naphthalen-1-ylethylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 102245385

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate (CID 66827300) is 2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)Nc1ncccn1.
What is the InChIKey of 2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is MTTFSLDJMSDJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-8(2)9(16)18-7-6-14-11(17)15-10-12-4-3-5-13-10/h3-5H,1,6-7H2,2H3,(H2,12,13,14,15,17).
What are the key properties of 2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate?
2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 250.26 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 66827300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).