4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine

C14H19N5O — CID 50984548

IUPAC4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCCC(Cn3ccnc3)C2)ncn1
InChIInChI=1S/C14H19N5O/c1-20-14-7-13(16-10-17-14)19-5-2-3-12(9-19)8-18-6-4-15-11-18/h4,6-7,10-12H,2-3,5,8-9H2,1H3
InChIKeyCGHJTSIMLUJRKG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.60
Rot. Bonds4

About 4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine

4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine (PubChem CID 50984548) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine
PubChem CID50984548
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCCC(Cn3ccnc3)C2)ncn1
InChIInChI=1S/C14H19N5O/c1-20-14-7-13(16-10-17-14)19-5-2-3-12(9-19)8-18-6-4-15-11-18/h4,6-7,10-12H,2-3,5,8-9H2,1H3
InChIKeyCGHJTSIMLUJRKG-UHFFFAOYSA-N
XLogP1.60
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine?
The IUPAC name of 4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine (CID 50984548) is 4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine is COc1cc(N2CCCC(Cn3ccnc3)C2)ncn1.
What is the InChIKey of 4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine?
The InChIKey is CGHJTSIMLUJRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-20-14-7-13(16-10-17-14)19-5-2-3-12(9-19)8-18-6-4-15-11-18/h4,6-7,10-12H,2-3,5,8-9H2,1H3.
What are the key properties of 4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine?
4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine has a molecular weight of 273.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidine is sourced from PubChem (CID 50984548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).