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

C14H17N5O — CID 154575548

IUPAC2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(COc3cnccn3)CC2)nc1
InChIInChI=1S/C14H17N5O/c1-4-17-14(18-5-1)19-8-2-12(3-9-19)11-20-13-10-15-6-7-16-13/h1,4-7,10,12H,2-3,8-9,11H2
InChIKeyMXBVLSJEOIZHIQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.56
Rot. Bonds4

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

2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 154575548) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
PubChem CID154575548
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
SMILESc1cnc(N2CCC(COc3cnccn3)CC2)nc1
InChIInChI=1S/C14H17N5O/c1-4-17-14(18-5-1)19-8-2-12(3-9-19)11-20-13-10-15-6-7-16-13/h1,4-7,10,12H,2-3,8-9,11H2
InChIKeyMXBVLSJEOIZHIQ-UHFFFAOYSA-N
XLogP1.56
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine (CID 154575548) is 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is c1cnc(N2CCC(COc3cnccn3)CC2)nc1.
What is the InChIKey of 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is MXBVLSJEOIZHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-4-17-14(18-5-1)19-8-2-12(3-9-19)11-20-13-10-15-6-7-16-13/h1,4-7,10,12H,2-3,8-9,11H2.
What are the key properties of 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine?
2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 271.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 154575548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).