2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one

C11H17N3O — CID 135472863

IUPAC2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(CN2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-9-12-10(7-11(15)13-9)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13,15)
InChIKeyHKHZEWGSURRFSB-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.06
Rot. Bonds2

About 2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one

2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135472863) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135472863
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(CN2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c1-9-12-10(7-11(15)13-9)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13,15)
InChIKeyHKHZEWGSURRFSB-UHFFFAOYSA-N
XLogP1.06
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one (CID 135472863) is 2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one is Cc1nc(CN2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is HKHZEWGSURRFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-12-10(7-11(15)13-9)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13,15).
What are the key properties of 2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one?
2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperidin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135472863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).