ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate

C19H24N4O3 — CID 137265079

IUPACethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCN(c2ccc(-c3nc(CC)cc(=O)[nH]3)cn2)C1
InChIInChI=1S/C19H24N4O3/c1-4-14-10-16(24)22-17(21-14)13-6-7-15(20-11-13)23-9-8-19(3,12-23)18(25)26-5-2/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,22,24)
InChIKeyAYOXMEVYAQVUFG-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.17
Rot. Bonds5

About ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate

ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate (PubChem CID 137265079) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate
PubChem CID137265079
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nameethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCN(c2ccc(-c3nc(CC)cc(=O)[nH]3)cn2)C1
InChIInChI=1S/C19H24N4O3/c1-4-14-10-16(24)22-17(21-14)13-6-7-15(20-11-13)23-9-8-19(3,12-23)18(25)26-5-2/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,22,24)
InChIKeyAYOXMEVYAQVUFG-UHFFFAOYSA-N
XLogP2.17
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate (CID 137265079) is ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate is CCOC(=O)C1(C)CCN(c2ccc(-c3nc(CC)cc(=O)[nH]3)cn2)C1.
What is the InChIKey of ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate?
The InChIKey is AYOXMEVYAQVUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-14-10-16(24)22-17(21-14)13-6-7-15(20-11-13)23-9-8-19(3,12-23)18(25)26-5-2/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,22,24).
What are the key properties of ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate?
ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 137265079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).