4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one

C8H13N3O2 — CID 105440519

IUPAC4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one
SMILESCNCCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-9-4-2-3-6-10-7(12)5-8(13)11-6/h5,9H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyITEPVQOJKCKXJV-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.37
Rot. Bonds4

About 4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one

4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one (PubChem CID 105440519) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one
PubChem CID105440519
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one
SMILESCNCCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-9-4-2-3-6-10-7(12)5-8(13)11-6/h5,9H,2-4H2,1H3,(H2,10,11,12,13)
InChIKeyITEPVQOJKCKXJV-UHFFFAOYSA-N
XLogP-0.37
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hydroxy-2-[3-(methylamino)propyl]-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

Related Compounds

2-hexyl-4-hydroxy-1H-pyrimidin-6-one
CID 23042624
4-hydroxy-2-pentyl-1H-pyrimidin-6-one
CID 70233802
2-Propylpyrimidine-4,6-diol
CID 12280642
AC1Ldwnn
CID 676463
2-(3-Aminopropyl)-6-hydroxy-3,4-dihydropyrimidin-4-one hydrochloride
CID 165604793
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
2-(1-fluoroethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 176254116
2-(3-Aminopropyl)pyrimidine-4,6-diol
CID 63554638
2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550600
5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 80550892
2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
CID 137262841
2-Tert-butyl-4,6-dihydroxypyrimidine
CID 817310

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one (CID 105440519) is 4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one is CNCCCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one?
The InChIKey is ITEPVQOJKCKXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-4-2-3-6-10-7(12)5-8(13)11-6/h5,9H,2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one?
4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[3-(methylamino)propyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 105440519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).