6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione

C13H22N4O4 — CID 102959382

IUPAC6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(N2CCC(C)C(O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O4/c1-8-3-4-16(7-9(8)18)10-11(14)17(5-6-21-2)13(20)15-12(10)19/h8-9,18H,3-7,14H2,1-2H3,(H,15,19,20)
InChIKeyXGLFYZCNGBAQAG-UHFFFAOYSA-N
MW298.34 g/mol
LogP-1.03
Rot. Bonds4

About 6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 102959382) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID102959382
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(N2CCC(C)C(O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O4/c1-8-3-4-16(7-9(8)18)10-11(14)17(5-6-21-2)13(20)15-12(10)19/h8-9,18H,3-7,14H2,1-2H3,(H,15,19,20)
InChIKeyXGLFYZCNGBAQAG-UHFFFAOYSA-N
XLogP-1.03
TPSA113.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 102959382) is 6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(N2CCC(C)C(O)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is XGLFYZCNGBAQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-8-3-4-16(7-9(8)18)10-11(14)17(5-6-21-2)13(20)15-12(10)19/h8-9,18H,3-7,14H2,1-2H3,(H,15,19,20).
What are the key properties of 6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 298.34 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 102959382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).