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

C13H21N3O2 — CID 42890000

IUPAC1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione
SMILESCC1CCCCN1Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H21N3O2/c1-10-6-4-5-7-16(10)9-11-8-12(17)15(3)13(18)14(11)2/h8,10H,4-7,9H2,1-3H3
InChIKeyQLYVJVCZJGTXBO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.46
Rot. Bonds2

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

1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione (PubChem CID 42890000) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione
PubChem CID42890000
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione
SMILESCC1CCCCN1Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H21N3O2/c1-10-6-4-5-7-16(10)9-11-8-12(17)15(3)13(18)14(11)2/h8,10H,4-7,9H2,1-3H3
InChIKeyQLYVJVCZJGTXBO-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95270913
6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 112734010
6-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 95307044
6-[[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 100848655
6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 63908860
6-[[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 128989812
6-[[4-(aminomethyl)piperidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 119909687
1,3-dimethyl-6-[[(2R,3R)-2-methyl-3-phenylthiomorpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 95630129
methyl (3S)-1-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]piperidine-3-carboxylate
CID 79037622
1,3-dimethyl-6-[[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyrimidine-2,4-dione
CID 95981141
1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 71900504
6-[[cyclohexyl(methyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 16580694

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione (CID 42890000) is 1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione is CC1CCCCN1Cc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is QLYVJVCZJGTXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-6-4-5-7-16(10)9-11-8-12(17)15(3)13(18)14(11)2/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 251.33 g/mol, XLogP of 0.46, 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-[(2-methylpiperidin-1-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 42890000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).