6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione

C11H18N4O2 — CID 141182438

IUPAC6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCCC(C)(N)C2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-11(12)4-3-5-15(7-11)8-6-9(16)14(2)10(17)13-8/h6H,3-5,7,12H2,1-2H3,(H,13,17)
InChIKeyXLNOQJPJXNRDOF-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.61
Rot. Bonds1

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

6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 141182438) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID141182438
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCCC(C)(N)C2)[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-11(12)4-3-5-15(7-11)8-6-9(16)14(2)10(17)13-8/h6H,3-5,7,12H2,1-2H3,(H,13,17)
InChIKeyXLNOQJPJXNRDOF-UHFFFAOYSA-N
XLogP-0.61
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione
CID 3235577
3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 4141057
6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione
CID 72707535
1,3-Dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione
CID 657656
3-cyclohexyl-6-(4-ethyl-1-piperazinyl)-2,4(1H,3H)-pyrimidinedione
CID 3571734
6-[(3R)-3-aminopiperidin-1-yl]-1,3-bis(but-2-ynyl)pyrimidine-2,4-dione
CID 72707536
6-[(4-methylpiperidin-1-yl)methyl]-1H-pyrimidine-2,4-dione
CID 39894614
6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-propylpyrimidine-2,4-dione
CID 145961723
6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-ethylpyrimidine-2,4-dione
CID 145962833
1,3-Dimethyl-6-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 12816873
6-(3-Aminopiperidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 132372620
3-ethyl-6-(4-methyl-1-piperidyl)-2,4(1H,3H)-pyrimidinedione
CID 6623929

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (CID 141182438) is 6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCCC(C)(N)C2)[nH]c1=O.
What is the InChIKey of 6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is XLNOQJPJXNRDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(12)4-3-5-15(7-11)8-6-9(16)14(2)10(17)13-8/h6H,3-5,7,12H2,1-2H3,(H,13,17).
What are the key properties of 6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-3-methylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 141182438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).