methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate

C17H20N4O2 — CID 48930529

IUPACmethyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(C)nc(-c3ccncc3)n2)CC1
InChIInChI=1S/C17H20N4O2/c1-12-11-15(20-16(19-12)13-3-7-18-8-4-13)21-9-5-14(6-10-21)17(22)23-2/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3
InChIKeyXUSHLFPNDPLGJF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.24
Rot. Bonds3

About methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate

methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 48930529) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID48930529
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Namemethyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(C)nc(-c3ccncc3)n2)CC1
InChIInChI=1S/C17H20N4O2/c1-12-11-15(20-16(19-12)13-3-7-18-8-4-13)21-9-5-14(6-10-21)17(22)23-2/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3
InChIKeyXUSHLFPNDPLGJF-UHFFFAOYSA-N
XLogP2.24
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate (CID 48930529) is methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2cc(C)nc(-c3ccncc3)n2)CC1.
What is the InChIKey of methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is XUSHLFPNDPLGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-11-15(20-16(19-12)13-3-7-18-8-4-13)21-9-5-14(6-10-21)17(22)23-2/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3.
What are the key properties of methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate?
methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 48930529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).