1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione

C13H22N4O2 — CID 657656

IUPAC1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione
SMILESCn1c(NCCN2CCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2/c1-15-11(10-12(18)16(2)13(15)19)14-6-9-17-7-4-3-5-8-17/h10,14H,3-9H2,1-2H3
InChIKeyILVINDACEXLXBW-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.02
Rot. Bonds4

About 1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione

1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione (PubChem CID 657656) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione
PubChem CID657656
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione
SMILESCn1c(NCCN2CCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2/c1-15-11(10-12(18)16(2)13(15)19)14-6-9-17-7-4-3-5-8-17/h10,14H,3-9H2,1-2H3
InChIKeyILVINDACEXLXBW-UHFFFAOYSA-N
XLogP-0.02
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino-1-methyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione
CID 2497562
1,3-dimethyl-6-piperidino-2,4(1H,3H)-pyrimidinedione
CID 1485652
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
3-methyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione
CID 5310262
6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione
CID 72707535
N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
Urea, 1-butyl-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-
CID 208118
6-Amino-1-[2-(diethylamino)ethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2118143
6-Butylamino-1,3-dimethyluracil
CID 2262624
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

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione (CID 657656) is 1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione is Cn1c(NCCN2CCCCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione?
The InChIKey is ILVINDACEXLXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-15-11(10-12(18)16(2)13(15)19)14-6-9-17-7-4-3-5-8-17/h10,14H,3-9H2,1-2H3.
What are the key properties of 1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione?
1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 657656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).