(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

C20H21N5O3 — CID 55601907

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
SMILESCc1ccc2nc(COC(=O)C3CCCCN3c3ncccn3)cc(=O)n2c1
InChIInChI=1S/C20H21N5O3/c1-14-6-7-17-23-15(11-18(26)25(17)12-14)13-28-19(27)16-5-2-3-10-24(16)20-21-8-4-9-22-20/h4,6-9,11-12,16H,2-3,5,10,13H2,1H3
InChIKeySCZDXNRUAPGIGD-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.90
Rot. Bonds4

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate (PubChem CID 55601907) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
PubChem CID55601907
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
SMILESCc1ccc2nc(COC(=O)C3CCCCN3c3ncccn3)cc(=O)n2c1
InChIInChI=1S/C20H21N5O3/c1-14-6-7-17-23-15(11-18(26)25(17)12-14)13-28-19(27)16-5-2-3-10-24(16)20-21-8-4-9-22-20/h4,6-9,11-12,16H,2-3,5,10,13H2,1H3
InChIKeySCZDXNRUAPGIGD-UHFFFAOYSA-N
XLogP1.90
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate (CID 55601907) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate is Cc1ccc2nc(COC(=O)C3CCCCN3c3ncccn3)cc(=O)n2c1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The InChIKey is SCZDXNRUAPGIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-14-6-7-17-23-15(11-18(26)25(17)12-14)13-28-19(27)16-5-2-3-10-24(16)20-21-8-4-9-22-20/h4,6-9,11-12,16H,2-3,5,10,13H2,1H3.
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate has a molecular weight of 379.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate is sourced from PubChem (CID 55601907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).