6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride

C11H18ClN3O2 — CID 18532162

IUPAC6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCc1[nH]c(=O)[nH]c(=O)c1CN1CCCCC1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-8-9(10(15)13-11(16)12-8)7-14-5-3-2-4-6-14;/h2-7H2,1H3,(H2,12,13,15,16);1H
InChIKeyMKDPFGFYJQZLDF-UHFFFAOYSA-N
MW259.74 g/mol
LogP0.78
Rot. Bonds2

About 6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride

6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 18532162) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID18532162
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCc1[nH]c(=O)[nH]c(=O)c1CN1CCCCC1.Cl
InChIInChI=1S/C11H17N3O2.ClH/c1-8-9(10(15)13-11(16)12-8)7-14-5-3-2-4-6-14;/h2-7H2,1H3,(H2,12,13,15,16);1H
InChIKeyMKDPFGFYJQZLDF-UHFFFAOYSA-N
XLogP0.78
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride (CID 18532162) is 6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride is Cc1[nH]c(=O)[nH]c(=O)c1CN1CCCCC1.Cl.
What is the InChIKey of 6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is MKDPFGFYJQZLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.ClH/c1-8-9(10(15)13-11(16)12-8)7-14-5-3-2-4-6-14;/h2-7H2,1H3,(H2,12,13,15,16);1H.
What are the key properties of 6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 18532162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).