ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate

C10H13N3O3 — CID 164908029

IUPACethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cnc(N)nc1OC
InChIInChI=1S/C10H13N3O3/c1-3-16-8(14)5-4-7-6-12-10(11)13-9(7)15-2/h4-6H,3H2,1-2H3,(H2,11,12,13)/b5-4+
InChIKeyGYRHQFUNQBBNKP-SNAWJCMRSA-N
MW223.23 g/mol
LogP0.64
Rot. Bonds4

About ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate

ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate (PubChem CID 164908029) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate
PubChem CID164908029
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Nameethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cnc(N)nc1OC
InChIInChI=1S/C10H13N3O3/c1-3-16-8(14)5-4-7-6-12-10(11)13-9(7)15-2/h4-6H,3H2,1-2H3,(H2,11,12,13)/b5-4+
InChIKeyGYRHQFUNQBBNKP-SNAWJCMRSA-N
XLogP0.64
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.64
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

ethyl 3-(2,6-dimethoxy-3-pyridinyl)prop-2-enoate
CID 169480678
ethyl (E)-3-(5-methoxy-2-methyl-3-pyridinyl)prop-2-enoate
CID 142796744
5-[(E,4S)-4-aminohex-1-enyl]-4-methoxypyrimidin-2-amine
CID 178023722
ethyl (E)-3-(4-amino-2-anilinopyrimidin-5-yl)prop-2-enoate
CID 18375025
5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate
CID 157224103
ethyl (E)-3-[4-amino-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)pyrimidin-5-yl]prop-2-enoate
CID 175950625
ethyl 3-(5,6-diamino-2-methyl-3-pyridinyl)prop-2-enoate
CID 169480433
ethyl (E)-3-(6-amino-5-methoxy-3-pyridinyl)prop-2-enoate
CID 66961501
ethyl (Z)-3-[1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-yl]prop-2-enoate
CID 142261856
ethyl 3-[1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-yl]prop-2-enoate
CID 59996139
ethyl (E)-3-(2,6-dimethyl-3-pyridinyl)prop-2-enoate
CID 164663019
ethyl (E)-3-(4-amino-5-bromo-3-pyridinyl)prop-2-enoate
CID 37030098

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate (CID 164908029) is ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate is CCOC(=O)/C=C/c1cnc(N)nc1OC.
What is the InChIKey of ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate?
The InChIKey is GYRHQFUNQBBNKP-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-16-8(14)5-4-7-6-12-10(11)13-9(7)15-2/h4-6H,3H2,1-2H3,(H2,11,12,13)/b5-4+.
What are the key properties of ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate?
ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate has a molecular weight of 223.23 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate is sourced from PubChem (CID 164908029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).