ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate

C14H14N4O2 — CID 70602263

IUPACethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate
SMILESCCOC(=O)C=CNc1ccnc(-c2ccncc2)n1
InChIInChI=1S/C14H14N4O2/c1-2-20-13(19)6-10-16-12-5-9-17-14(18-12)11-3-7-15-8-4-11/h3-10H,2H2,1H3,(H,16,17,18)
InChIKeyLHGMJMNRDQWQPU-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.03
Rot. Bonds5

About ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate

ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate (PubChem CID 70602263) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate
PubChem CID70602263
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Nameethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate
SMILESCCOC(=O)C=CNc1ccnc(-c2ccncc2)n1
InChIInChI=1S/C14H14N4O2/c1-2-20-13(19)6-10-16-12-5-9-17-14(18-12)11-3-7-15-8-4-11/h3-10H,2H2,1H3,(H,16,17,18)
InChIKeyLHGMJMNRDQWQPU-UHFFFAOYSA-N
XLogP2.03
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enenitrile
CID 21315602
dihexyl 2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]propanedioate
CID 13164649
ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]benzoate
CID 90353046
ethyl N-oxido-N-(2-pyridin-4-ylpyrimidin-4-yl)carbamate
CID 88791574
2-cyano-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoic acid
CID 70602242
ethyl (E)-3-(1,3-thiazol-2-ylamino)prop-2-enoate
CID 86748184
ethyl (E)-4-(3,5-dimethyl-4-pyridin-4-ylphenyl)-4-oxobut-2-enoate
CID 58781530
diethyl 2-[[(6-propyl-2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]propanedioate
CID 21315600
(Z)-2-cyano-3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]but-2-enoic acid
CID 21315626
1-methyl-3-propan-2-yl-1-(2-pyridin-4-ylpyrimidin-4-yl)urea
CID 12764749
ethyl (E)-3-(pyridine-3-carbonylamino)prop-2-enoate
CID 102078444
ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate
CID 54710377

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate?
The IUPAC name of ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate (CID 70602263) is ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate.
What is the SMILES notation for ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate?
The canonical SMILES for ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate is CCOC(=O)C=CNc1ccnc(-c2ccncc2)n1.
What is the InChIKey of ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate?
The InChIKey is LHGMJMNRDQWQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-20-13(19)6-10-16-12-5-9-17-14(18-12)11-3-7-15-8-4-11/h3-10H,2H2,1H3,(H,16,17,18).
What are the key properties of ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate?
ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate has a molecular weight of 270.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]prop-2-enoate is sourced from PubChem (CID 70602263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).