5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one

C14H23ClN4O — CID 137210241

IUPAC5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN1CCCC(CN(C)c2nc(C)[nH]c(=O)c2Cl)C1
InChIInChI=1S/C14H23ClN4O/c1-4-19-7-5-6-11(9-19)8-18(3)13-12(15)14(20)17-10(2)16-13/h11H,4-9H2,1-3H3,(H,16,17,20)
InChIKeyONHSWJDJSVYDFP-UHFFFAOYSA-N
MW298.82 g/mol
LogP1.90
Rot. Bonds4

About 5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one

5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137210241) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID137210241
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCCN1CCCC(CN(C)c2nc(C)[nH]c(=O)c2Cl)C1
InChIInChI=1S/C14H23ClN4O/c1-4-19-7-5-6-11(9-19)8-18(3)13-12(15)14(20)17-10(2)16-13/h11H,4-9H2,1-3H3,(H,16,17,20)
InChIKeyONHSWJDJSVYDFP-UHFFFAOYSA-N
XLogP1.90
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one (CID 137210241) is 5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one is CCN1CCCC(CN(C)c2nc(C)[nH]c(=O)c2Cl)C1.
What is the InChIKey of 5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ONHSWJDJSVYDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-4-19-7-5-6-11(9-19)8-18(3)13-12(15)14(20)17-10(2)16-13/h11H,4-9H2,1-3H3,(H,16,17,20).
What are the key properties of 5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one?
5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 298.82 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-ethylpiperidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137210241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).