5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione

C10H15N3O2 — CID 642681

IUPAC5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CN2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c14-9-8(6-11-10(15)12-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H2,11,12,14,15)
InChIKeyRQNQTZPPHMBGFD-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.05
Rot. Bonds2

About 5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione

5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 642681) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID642681
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(CN2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c14-9-8(6-11-10(15)12-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H2,11,12,14,15)
InChIKeyRQNQTZPPHMBGFD-UHFFFAOYSA-N
XLogP0.05
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
5-[(dimethylamino)methyl]-1H-pyrimidine-2,4-dione
CID 408478
4(1H)-Pyrimidinone, 2,3-dihydro-5-(1-piperidinylmethyl)-2-thioxo-
CID 3034490
CID 421650
CID 421650
CID 421651
CID 421651
N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 25185739
5-(((4-Aminobutyl)amino)methyl)-2,4(1H,3H)-pyrimidinedione
CID 188337
5-Methyl-1-pentylpyrimidine-2,4(1H,3H)-dione
CID 20076510
1,3-Dimethyl-5-methylaminomethylene-6-aminouracil
CID 129789925
Piperidinylthymine
CID 166175013
5-(Aminomethyl)-1-cyclohexyl-3-methylpyrimidine-2,4-dione
CID 3041128
5-Fluoro-1-(piperidine-1-carbonyl)pyrimidine-2,4-dione
CID 70630603

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione (CID 642681) is 5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(CN2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RQNQTZPPHMBGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9-8(6-11-10(15)12-9)7-13-4-2-1-3-5-13/h6H,1-5,7H2,(H2,11,12,14,15).
What are the key properties of 5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione?
5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 209.25 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 642681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).