methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate

C18H20N4O4 — CID 59509124

IUPACmethyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Nc1cc(-c2ccccc2OC)ncn1
InChIInChI=1S/C18H20N4O4/c1-25-15-8-4-3-6-12(15)13-10-16(20-11-19-13)21-18(24)22-9-5-7-14(22)17(23)26-2/h3-4,6,8,10-11,14H,5,7,9H2,1-2H3,(H,19,20,21,24)
InChIKeyDOKJIHYGPRNRAN-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.32
Rot. Bonds4

About methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate

methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate (PubChem CID 59509124) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate
PubChem CID59509124
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Namemethyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Nc1cc(-c2ccccc2OC)ncn1
InChIInChI=1S/C18H20N4O4/c1-25-15-8-4-3-6-12(15)13-10-16(20-11-19-13)21-18(24)22-9-5-7-14(22)17(23)26-2/h3-4,6,8,10-11,14H,5,7,9H2,1-2H3,(H,19,20,21,24)
InChIKeyDOKJIHYGPRNRAN-UHFFFAOYSA-N
XLogP2.32
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate (CID 59509124) is methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)Nc1cc(-c2ccccc2OC)ncn1.
What is the InChIKey of methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate?
The InChIKey is DOKJIHYGPRNRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-25-15-8-4-3-6-12(15)13-10-16(20-11-19-13)21-18(24)22-9-5-7-14(22)17(23)26-2/h3-4,6,8,10-11,14H,5,7,9H2,1-2H3,(H,19,20,21,24).
What are the key properties of methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate?
methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 59509124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).