6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione

C13H22N4O3 — CID 60661513

IUPAC6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N2CCC(O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O3/c1-2-3-6-17-11(14)10(12(19)15-13(17)20)16-7-4-9(18)5-8-16/h9,18H,2-8,14H2,1H3,(H,15,19,20)
InChIKeyZRWDZNMOFROPCG-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.12
Rot. Bonds4

About 6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione

6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione (PubChem CID 60661513) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione
PubChem CID60661513
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N2CCC(O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O3/c1-2-3-6-17-11(14)10(12(19)15-13(17)20)16-7-4-9(18)5-8-16/h9,18H,2-8,14H2,1H3,(H,15,19,20)
InChIKeyZRWDZNMOFROPCG-UHFFFAOYSA-N
XLogP-0.12
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino-1-methyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione
CID 2497562
6-Amino-5-(piperidin-1-yl)-1-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2497579
4-ethyl-N-[(2R,4R)-4-hydroxypentan-2-yl]-3-methylidene-2-oxopiperazine-1-carboxamide
CID 89309060
6-Amino-3-(3-hydroxypropyl)-1-methyl-5-(propylamino)pyrimidine-2,4-dione
CID 129112209
9-(1-hydroxyethyl)-3-methyl-7-pentyl-8H-purine-2,6-dione
CID 169739474
6-Amino-1-(2-methoxyethyl)-5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2497425
6-Amino-1-butyl-5-piperidin-1-ylpyrimidine-2,4-dione
CID 4658650
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-piperidin-1-ylacetamide
CID 8431580
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-piperidin-1-ylacetamide
CID 8520273
1-(4-Hydroxybutyl)-5-piperidin-1-ylpyrimidine-2,4-dione
CID 10849441
6-Amino-1-butyl-5-[(2-oxo-2-piperidin-1-ylethyl)-propylamino]pyrimidine-2,4-dione
CID 17458117
6-Amino-1-butyl-5-[ethyl-(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-2,4-dione
CID 18136950

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione (CID 60661513) is 6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione is CCCCn1c(N)c(N2CCC(O)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione?
The InChIKey is ZRWDZNMOFROPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-2-3-6-17-11(14)10(12(19)15-13(17)20)16-7-4-9(18)5-8-16/h9,18H,2-8,14H2,1H3,(H,15,19,20).
What are the key properties of 6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione?
6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione has a molecular weight of 282.34 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-(4-hydroxypiperidin-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 60661513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).