5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione

C13H22N4O2 — CID 107912148

IUPAC5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione
SMILESCN1CCCCC1CCn1c(=O)c(N)cn(C)c1=O
InChIInChI=1S/C13H22N4O2/c1-15-7-4-3-5-10(15)6-8-17-12(18)11(14)9-16(2)13(17)19/h9-10H,3-8,14H2,1-2H3
InChIKeyLBQCPKSPLINNCL-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.00
Rot. Bonds3

About 5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione

5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 107912148) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione
PubChem CID107912148
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione
SMILESCN1CCCCC1CCn1c(=O)c(N)cn(C)c1=O
InChIInChI=1S/C13H22N4O2/c1-15-7-4-3-5-10(15)6-8-17-12(18)11(14)9-16(2)13(17)19/h9-10H,3-8,14H2,1-2H3
InChIKeyLBQCPKSPLINNCL-UHFFFAOYSA-N
XLogP0.00
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazol-3-amine
CID 107912156
5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
CID 107913277
3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one
CID 114015237
[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine
CID 107913121
5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
CID 107914577
(5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
CID 97027345
2-(1-methylpiperidin-2-yl)ethanesulfonamide
CID 107912942
N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107913580
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
1-methyl-3-[1-[1-[2-(1-methylpiperidin-2-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946203
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 107912883
2-methyl-1-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]indole
CID 92981302

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione (CID 107912148) is 5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione is CN1CCCCC1CCn1c(=O)c(N)cn(C)c1=O.
What is the InChIKey of 5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is LBQCPKSPLINNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-15-7-4-3-5-10(15)6-8-17-12(18)11(14)9-16(2)13(17)19/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione?
5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 107912148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).