4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride

C10H16ClN3O — CID 137014964

IUPAC4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1cc(=O)[nH]c(C2CCCNC2)n1.Cl
InChIInChI=1S/C10H15N3O.ClH/c1-7-5-9(14)13-10(12-7)8-3-2-4-11-6-8;/h5,8,11H,2-4,6H2,1H3,(H,12,13,14);1H
InChIKeyJOJLTYHWUOEYFY-UHFFFAOYSA-N
MW229.71 g/mol
LogP0.97
Rot. Bonds1

About 4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride

4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 137014964) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
PubChem CID137014964
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1cc(=O)[nH]c(C2CCCNC2)n1.Cl
InChIInChI=1S/C10H15N3O.ClH/c1-7-5-9(14)13-10(12-7)8-3-2-4-11-6-8;/h5,8,11H,2-4,6H2,1H3,(H,12,13,14);1H
InChIKeyJOJLTYHWUOEYFY-UHFFFAOYSA-N
XLogP0.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride (CID 137014964) is 4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride is Cc1cc(=O)[nH]c(C2CCCNC2)n1.Cl.
What is the InChIKey of 4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is JOJLTYHWUOEYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.ClH/c1-7-5-9(14)13-10(12-7)8-3-2-4-11-6-8;/h5,8,11H,2-4,6H2,1H3,(H,12,13,14);1H.
What are the key properties of 4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride?
4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 137014964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).