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

C13H21N3O2 — CID 17487438

IUPAC1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione
SMILESCC1CCCN(Cc2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C13H21N3O2/c1-10-5-4-6-16(8-10)9-11-7-12(17)15(3)13(18)14(11)2/h7,10H,4-6,8-9H2,1-3H3
InChIKeyVTESQEXOSOCCKI-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.32
Rot. Bonds2

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

1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione (PubChem CID 17487438) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione
PubChem CID17487438
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione
SMILESCC1CCCN(Cc2cc(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C13H21N3O2/c1-10-5-4-6-16(8-10)9-11-7-12(17)15(3)13(18)14(11)2/h7,10H,4-6,8-9H2,1-3H3
InChIKeyVTESQEXOSOCCKI-UHFFFAOYSA-N
XLogP0.32
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.32
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-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione (CID 17487438) is 1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione is CC1CCCN(Cc2cc(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is VTESQEXOSOCCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-5-4-6-16(8-10)9-11-7-12(17)15(3)13(18)14(11)2/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 251.33 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 17487438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).