5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one

C9H15N3O2 — CID 63555881

IUPAC5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCNCc1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-6-8(13)11-7(5-10-4-2)12-9(6)14/h10H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyHISDQWOTLPWFTD-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.15
Rot. Bonds4

About 5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one

5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63555881) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63555881
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCNCc1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-6-8(13)11-7(5-10-4-2)12-9(6)14/h10H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyHISDQWOTLPWFTD-UHFFFAOYSA-N
XLogP0.15
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 63555881) is 5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one is CCNCc1nc(O)c(CC)c(=O)[nH]1.
What is the InChIKey of 5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is HISDQWOTLPWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-6-8(13)11-7(5-10-4-2)12-9(6)14/h10H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one?
5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(ethylaminomethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63555881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).