4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one

C8H13N3O2 — CID 63555706

IUPAC4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
SMILESCNCCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5-7(12)10-6(3-4-9-2)11-8(5)13/h9H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyQOBXTSLPPZGQOG-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.45
Rot. Bonds3

About 4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one (PubChem CID 63555706) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
PubChem CID63555706
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
SMILESCNCCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5-7(12)10-6(3-4-9-2)11-8(5)13/h9H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyQOBXTSLPPZGQOG-UHFFFAOYSA-N
XLogP-0.45
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one (CID 63555706) is 4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one is CNCCc1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one?
The InChIKey is QOBXTSLPPZGQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-7(12)10-6(3-4-9-2)11-8(5)13/h9H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 63555706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).