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

C7H11N3O2 — CID 63553914

IUPAC2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C(C)N)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-3-6(11)9-5(4(2)8)10-7(3)12/h4H,8H2,1-2H3,(H2,9,10,11,12)
InChIKeyXBBIYUBFGAYQTH-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.20
Rot. Bonds1

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

2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63553914) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63553914
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C(C)N)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-3-6(11)9-5(4(2)8)10-7(3)12/h4H,8H2,1-2H3,(H2,9,10,11,12)
InChIKeyXBBIYUBFGAYQTH-UHFFFAOYSA-N
XLogP-0.20
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1-aminoethyl)-4-hydroxy-5-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 2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63553914) is 2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(C(C)N)[nH]c1=O.
What is the InChIKey of 2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is XBBIYUBFGAYQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-6(11)9-5(4(2)8)10-7(3)12/h4H,8H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63553914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).