4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine

C13H17N5O — CID 70708404

IUPAC4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCCC(c3ncc[nH]3)C2)ncn1
InChIInChI=1S/C13H17N5O/c1-19-12-7-11(16-9-17-12)18-6-2-3-10(8-18)13-14-4-5-15-13/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,14,15)
InChIKeySCEAMVIZMAGELT-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds3

About 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine

4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine (PubChem CID 70708404) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine
PubChem CID70708404
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCCC(c3ncc[nH]3)C2)ncn1
InChIInChI=1S/C13H17N5O/c1-19-12-7-11(16-9-17-12)18-6-2-3-10(8-18)13-14-4-5-15-13/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,14,15)
InChIKeySCEAMVIZMAGELT-UHFFFAOYSA-N
XLogP1.59
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine?
The IUPAC name of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine (CID 70708404) is 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine is COc1cc(N2CCCC(c3ncc[nH]3)C2)ncn1.
What is the InChIKey of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine?
The InChIKey is SCEAMVIZMAGELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-19-12-7-11(16-9-17-12)18-6-2-3-10(8-18)13-14-4-5-15-13/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,14,15).
What are the key properties of 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine?
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine has a molecular weight of 259.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidine is sourced from PubChem (CID 70708404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).