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

C7H11N3O2 — CID 63556052

IUPAC2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CN)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-2-4-6(11)9-5(3-8)10-7(4)12/h2-3,8H2,1H3,(H2,9,10,11,12)
InChIKeyDWEAFJPYXZOSGZ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.50
Rot. Bonds2

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

2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 63556052) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID63556052
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CN)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-2-4-6(11)9-5(3-8)10-7(4)12/h2-3,8H2,1H3,(H2,9,10,11,12)
InChIKeyDWEAFJPYXZOSGZ-UHFFFAOYSA-N
XLogP-0.50
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 63556052) is 2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(CN)[nH]c1=O.
What is the InChIKey of 2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DWEAFJPYXZOSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-4-6(11)9-5(3-8)10-7(4)12/h2-3,8H2,1H3,(H2,9,10,11,12).
What are the key properties of 2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 63556052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).