6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione

C9H13N3O3 — CID 83856794

IUPAC6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CC2COCCN2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c13-8-4-6(11-9(14)12-8)3-7-5-15-2-1-10-7/h4,7,10H,1-3,5H2,(H2,11,12,13,14)
InChIKeyNHDVTBGYHZICRX-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.41
Rot. Bonds2

About 6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione

6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 83856794) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID83856794
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CC2COCCN2)[nH]c(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c13-8-4-6(11-9(14)12-8)3-7-5-15-2-1-10-7/h4,7,10H,1-3,5H2,(H2,11,12,13,14)
InChIKeyNHDVTBGYHZICRX-UHFFFAOYSA-N
XLogP-1.41
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione (CID 83856794) is 6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione is O=c1cc(CC2COCCN2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is NHDVTBGYHZICRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-8-4-6(11-9(14)12-8)3-7-5-15-2-1-10-7/h4,7,10H,1-3,5H2,(H2,11,12,13,14).
What are the key properties of 6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione?
6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 211.22 g/mol, XLogP of -1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-3-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83856794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).