methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate

C17H20N4O4 — CID 59258597

IUPACmethyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)nc(OCCc2ccccn2)n1
InChIInChI=1S/C17H20N4O4/c1-23-16(22)14-12-15(21-7-10-24-11-8-21)20-17(19-14)25-9-5-13-4-2-3-6-18-13/h2-4,6,12H,5,7-11H2,1H3
InChIKeyPOINTPDEVOZJMK-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.12
Rot. Bonds6

About methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate

methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate (PubChem CID 59258597) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate
PubChem CID59258597
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Namemethyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)nc(OCCc2ccccn2)n1
InChIInChI=1S/C17H20N4O4/c1-23-16(22)14-12-15(21-7-10-24-11-8-21)20-17(19-14)25-9-5-13-4-2-3-6-18-13/h2-4,6,12H,5,7-11H2,1H3
InChIKeyPOINTPDEVOZJMK-UHFFFAOYSA-N
XLogP1.12
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate (CID 59258597) is methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate is COC(=O)c1cc(N2CCOCC2)nc(OCCc2ccccn2)n1.
What is the InChIKey of methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate?
The InChIKey is POINTPDEVOZJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-23-16(22)14-12-15(21-7-10-24-11-8-21)20-17(19-14)25-9-5-13-4-2-3-6-18-13/h2-4,6,12H,5,7-11H2,1H3.
What are the key properties of methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate?
methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidine-4-carboxylate is sourced from PubChem (CID 59258597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).