2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

C15H19N5O — CID 154575543

IUPAC2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCc1nccc(N2CCC(COc3cnccn3)CC2)n1
InChIInChI=1S/C15H19N5O/c1-12-17-5-2-14(19-12)20-8-3-13(4-9-20)11-21-15-10-16-6-7-18-15/h2,5-7,10,13H,3-4,8-9,11H2,1H3
InChIKeyUHQVXKVDQNEGMA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.87
Rot. Bonds4

About 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine

2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 154575543) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID154575543
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESCc1nccc(N2CCC(COc3cnccn3)CC2)n1
InChIInChI=1S/C15H19N5O/c1-12-17-5-2-14(19-12)20-8-3-13(4-9-20)11-21-15-10-16-6-7-18-15/h2,5-7,10,13H,3-4,8-9,11H2,1H3
InChIKeyUHQVXKVDQNEGMA-UHFFFAOYSA-N
XLogP1.87
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 154575543) is 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is Cc1nccc(N2CCC(COc3cnccn3)CC2)n1.
What is the InChIKey of 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is UHQVXKVDQNEGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-12-17-5-2-14(19-12)20-8-3-13(4-9-20)11-21-15-10-16-6-7-18-15/h2,5-7,10,13H,3-4,8-9,11H2,1H3.
What are the key properties of 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 285.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154575543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).