3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione

C11H17N3O2 — CID 129366721

IUPAC3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESC[C@H]1CCCCN1c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-5-3-4-6-14(8)9-7-10(15)13(2)11(16)12-9/h7-8H,3-6H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyLTMBBHAAGWLWML-QMMMGPOBSA-N
MW223.28 g/mol
LogP0.45
Rot. Bonds1

About 3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione

3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 129366721) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID129366721
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
SMILESC[C@H]1CCCCN1c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-5-3-4-6-14(8)9-7-10(15)13(2)11(16)12-9/h7-8H,3-6H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyLTMBBHAAGWLWML-QMMMGPOBSA-N
XLogP0.45
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione (CID 129366721) is 3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione is C[C@H]1CCCCN1c1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is LTMBBHAAGWLWML-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-5-3-4-6-14(8)9-7-10(15)13(2)11(16)12-9/h7-8H,3-6H2,1-2H3,(H,12,16)/t8-/m0/s1.
What are the key properties of 3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione?
3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(2S)-2-methylpiperidin-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 129366721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).