5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 114206191

IUPAC5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(CC2CCCCO2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-13-7-9-8-14-11(15-12(9)16)6-10-4-2-3-5-17-10/h8,10,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyAHORCBCVPPARLA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.60
Rot. Bonds4

About 5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one

5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 114206191) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID114206191
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(CC2CCCCO2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-13-7-9-8-14-11(15-12(9)16)6-10-4-2-3-5-17-10/h8,10,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyAHORCBCVPPARLA-UHFFFAOYSA-N
XLogP0.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-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

5-(aminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 82507785
5-(methylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 84131866
N-ethyl-2-methyl-6-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxamide
CID 90649266
N-ethyl-2-methyl-N-[[(2S)-oxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 100044212
N-ethyl-2-methyl-N-[[(2R)-oxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 100044214
2-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104253719
5-(aminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104253721
5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 114206240
2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206264
2-(oxan-3-yl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206286
2-(oxolan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206298
2-(2-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 114206366

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one (CID 114206191) is 5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is CNCc1cnc(CC2CCCCO2)[nH]c1=O.
What is the InChIKey of 5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is AHORCBCVPPARLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-13-7-9-8-14-11(15-12(9)16)6-10-4-2-3-5-17-10/h8,10,13H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one?
5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).