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

C10H16N4O3 — CID 60666938

IUPAC6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(N2CCC(O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-13-8(11)7(9(16)12-10(13)17)14-4-2-6(15)3-5-14/h6,15H,2-5,11H2,1H3,(H,12,16,17)
InChIKeySGXQXXXVICITHB-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.38
Rot. Bonds1

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

6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione (PubChem CID 60666938) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione
PubChem CID60666938
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(N2CCC(O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-13-8(11)7(9(16)12-10(13)17)14-4-2-6(15)3-5-14/h6,15H,2-5,11H2,1H3,(H,12,16,17)
InChIKeySGXQXXXVICITHB-UHFFFAOYSA-N
XLogP-1.38
TPSA104.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione (CID 60666938) is 6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione is Cn1c(N)c(N2CCC(O)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione?
The InChIKey is SGXQXXXVICITHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13-8(11)7(9(16)12-10(13)17)14-4-2-6(15)3-5-14/h6,15H,2-5,11H2,1H3,(H,12,16,17).
What are the key properties of 6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione?
6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione has a molecular weight of 240.26 g/mol, XLogP of -1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-hydroxypiperidin-1-yl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 60666938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).