5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione

C9H13N3O3 — CID 22832124

IUPAC5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESCc1c(N2CCOCC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-6-7(10-9(14)11-8(6)13)12-2-4-15-5-3-12/h2-5H2,1H3,(H2,10,11,13,14)
InChIKeyYIBABBLDPCFUBU-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.79
Rot. Bonds1

About 5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione

5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (PubChem CID 22832124) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
PubChem CID22832124
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
SMILESCc1c(N2CCOCC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O3/c1-6-7(10-9(14)11-8(6)13)12-2-4-15-5-3-12/h2-5H2,1H3,(H2,10,11,13,14)
InChIKeyYIBABBLDPCFUBU-UHFFFAOYSA-N
XLogP-0.79
TPSA78.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione (CID 22832124) is 5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is Cc1c(N2CCOCC2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
The InChIKey is YIBABBLDPCFUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-7(10-9(14)11-8(6)13)12-2-4-15-5-3-12/h2-5H2,1H3,(H2,10,11,13,14).
What are the key properties of 5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione?
5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione has a molecular weight of 211.22 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-morpholin-4-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 22832124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).