2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine

C14H17N5O — CID 95829208

IUPAC2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine
SMILESCc1nccc(N2CCC(Oc3cnccn3)CC2)n1
InChIInChI=1S/C14H17N5O/c1-11-16-5-2-13(18-11)19-8-3-12(4-9-19)20-14-10-15-6-7-17-14/h2,5-7,10,12H,3-4,8-9H2,1H3
InChIKeyASEOEVYXIRAEIU-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.62
Rot. Bonds3

About 2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine

2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine (PubChem CID 95829208) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine
PubChem CID95829208
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine
SMILESCc1nccc(N2CCC(Oc3cnccn3)CC2)n1
InChIInChI=1S/C14H17N5O/c1-11-16-5-2-13(18-11)19-8-3-12(4-9-19)20-14-10-15-6-7-17-14/h2,5-7,10,12H,3-4,8-9H2,1H3
InChIKeyASEOEVYXIRAEIU-UHFFFAOYSA-N
XLogP1.62
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.62
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-yloxypiperidin-1-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine (CID 95829208) is 2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine is Cc1nccc(N2CCC(Oc3cnccn3)CC2)n1.
What is the InChIKey of 2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine?
The InChIKey is ASEOEVYXIRAEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-11-16-5-2-13(18-11)19-8-3-12(4-9-19)20-14-10-15-6-7-17-14/h2,5-7,10,12H,3-4,8-9H2,1H3.
What are the key properties of 2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine?
2-methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine has a molecular weight of 271.32 g/mol, XLogP of 1.62, 3 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-yloxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 95829208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).