5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C7H11N3O2 — CID 55253718

IUPAC5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(CCN)c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-4-9-6(11)5(2-3-8)7(12)10-4/h2-3,8H2,1H3,(H2,9,10,11,12)
InChIKeyBUWOYROGBXWBDJ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.71
Rot. Bonds2

About 5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 55253718) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID55253718
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(CCN)c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-4-9-6(11)5(2-3-8)7(12)10-4/h2-3,8H2,1H3,(H2,9,10,11,12)
InChIKeyBUWOYROGBXWBDJ-UHFFFAOYSA-N
XLogP-0.71
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 ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 55253718) is 5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(CCN)c(=O)[nH]1.
What is the InChIKey of 5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is BUWOYROGBXWBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-9-6(11)5(2-3-8)7(12)10-4/h2-3,8H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 55253718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).