4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

C14H19N5O — CID 136804053

IUPAC4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(Cc3ncc[nH]3)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H19N5O/c1-10-17-12(8-14(20)18-10)11-2-6-19(7-3-11)9-13-15-4-5-16-13/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,15,16)(H,17,18,20)
InChIKeyDXJTVURCNUKPPL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.18
Rot. Bonds3

About 4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136804053) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136804053
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(Cc3ncc[nH]3)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H19N5O/c1-10-17-12(8-14(20)18-10)11-2-6-19(7-3-11)9-13-15-4-5-16-13/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,15,16)(H,17,18,20)
InChIKeyDXJTVURCNUKPPL-UHFFFAOYSA-N
XLogP1.18
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (CID 136804053) is 4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(C2CCN(Cc3ncc[nH]3)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DXJTVURCNUKPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-17-12(8-14(20)18-10)11-2-6-19(7-3-11)9-13-15-4-5-16-13/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,15,16)(H,17,18,20).
What are the key properties of 4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 273.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136804053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).