6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione

C9H13N3O4 — CID 3109680

IUPAC6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(CN2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O4/c13-7-6(8(14)11-9(15)10-7)5-12-1-3-16-4-2-12/h1-5H2,(H3,10,11,13,14,15)
InChIKeyYPXGGSJLJXAEPY-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.40
Rot. Bonds2

About 6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione

6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 3109680) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID3109680
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(O)c(CN2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O4/c13-7-6(8(14)11-9(15)10-7)5-12-1-3-16-4-2-12/h1-5H2,(H3,10,11,13,14,15)
InChIKeyYPXGGSJLJXAEPY-UHFFFAOYSA-N
XLogP-1.40
TPSA98.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione (CID 3109680) is 6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(O)c(CN2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is YPXGGSJLJXAEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c13-7-6(8(14)11-9(15)10-7)5-12-1-3-16-4-2-12/h1-5H2,(H3,10,11,13,14,15).
What are the key properties of 6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione?
6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 227.22 g/mol, XLogP of -1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(morpholin-4-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3109680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).