1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione

C11H17N3O2 — CID 1485652

IUPAC1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione
SMILESCn1c(N2CCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O2/c1-12-9(14-6-4-3-5-7-14)8-10(15)13(2)11(12)16/h8H,3-7H2,1-2H3
InChIKeyNTVJTQDLDXFVQW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.07
Rot. Bonds1

About 1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione

1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione (PubChem CID 1485652) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione
PubChem CID1485652
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione
SMILESCn1c(N2CCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H17N3O2/c1-12-9(14-6-4-3-5-7-14)8-10(15)13(2)11(12)16/h8H,3-7H2,1-2H3
InChIKeyNTVJTQDLDXFVQW-UHFFFAOYSA-N
XLogP0.07
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione (CID 1485652) is 1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione is Cn1c(N2CCCCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione?
The InChIKey is NTVJTQDLDXFVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-12-9(14-6-4-3-5-7-14)8-10(15)13(2)11(12)16/h8H,3-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione?
1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-piperidin-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 1485652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).