ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate

C13H18N4O3 — CID 174097987

IUPACethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate
SMILESCCOC(=O)C(=CN)c1nccc(N2CCOCC2)n1
InChIInChI=1S/C13H18N4O3/c1-2-20-13(18)10(9-14)12-15-4-3-11(16-12)17-5-7-19-8-6-17/h3-4,9H,2,5-8,14H2,1H3
InChIKeyUOVIPKNZAMSOHF-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.18
Rot. Bonds4

About ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate

ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate (PubChem CID 174097987) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate
PubChem CID174097987
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Nameethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate
SMILESCCOC(=O)C(=CN)c1nccc(N2CCOCC2)n1
InChIInChI=1S/C13H18N4O3/c1-2-20-13(18)10(9-14)12-15-4-3-11(16-12)17-5-7-19-8-6-17/h3-4,9H,2,5-8,14H2,1H3
InChIKeyUOVIPKNZAMSOHF-UHFFFAOYSA-N
XLogP0.18
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-2-[4-(3,3-difluoroazetidin-1-yl)pyrimidin-2-yl]prop-2-enoate
CID 174097840
methyl 4-morpholin-4-ylpyrimidine-2-carboxylate
CID 150936080
3-amino-2-[4-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-2-yl]-1-pyridin-2-ylprop-2-en-1-one
CID 143103213
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387
(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703575
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
4-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122318875
ethyl 4-[2-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-yl]benzoate
CID 158655887

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate?
The IUPAC name of ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate (CID 174097987) is ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate is CCOC(=O)C(=CN)c1nccc(N2CCOCC2)n1.
What is the InChIKey of ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate?
The InChIKey is UOVIPKNZAMSOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-20-13(18)10(9-14)12-15-4-3-11(16-12)17-5-7-19-8-6-17/h3-4,9H,2,5-8,14H2,1H3.
What are the key properties of ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate?
ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate has a molecular weight of 278.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(4-morpholin-4-ylpyrimidin-2-yl)prop-2-enoate is sourced from PubChem (CID 174097987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).