2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one

C13H21N3O2 — CID 63794382

IUPAC2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNCC2CCOC2)c(C)n1
InChIInChI=1S/C13H21N3O2/c1-10-7-13(17)16(11(2)15-10)5-4-14-8-12-3-6-18-9-12/h7,12,14H,3-6,8-9H2,1-2H3
InChIKeyILYVRIUKYGWMJM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.49
Rot. Bonds5

About 2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one

2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one (PubChem CID 63794382) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
PubChem CID63794382
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
SMILESCc1cc(=O)n(CCNCC2CCOC2)c(C)n1
InChIInChI=1S/C13H21N3O2/c1-10-7-13(17)16(11(2)15-10)5-4-14-8-12-3-6-18-9-12/h7,12,14H,3-6,8-9H2,1-2H3
InChIKeyILYVRIUKYGWMJM-UHFFFAOYSA-N
XLogP0.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-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

N-[[4-oxo-9-(oxolan-3-ylmethyl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide
CID 118744206
2-methoxy-N-[[4-oxo-9-(oxolan-3-ylmethyl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]acetamide
CID 118745363
4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
CID 136674856
2,6-Dimethyl-3-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidin-4-one
CID 55236265
6-Methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
CID 62564461
3-[2-(4-Ethoxybutylamino)ethyl]-6-methylpyrimidin-4-one
CID 62564615
2-[(Oxolan-3-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670221
2,6-Dimethyl-3-[2-(oxan-4-ylamino)ethyl]pyrimidin-4-one
CID 63793320
3-[2-(3-Methoxypropylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63793488
3-[2-(2-Butoxyethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63793666
3-[2-(3-Ethoxypropylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63793667
2,6-Dimethyl-3-[2-(3-methylbutylamino)ethyl]pyrimidin-4-one
CID 63793669

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one (CID 63794382) is 2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one is Cc1cc(=O)n(CCNCC2CCOC2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one?
The InChIKey is ILYVRIUKYGWMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-7-13(17)16(11(2)15-10)5-4-14-8-12-3-6-18-9-12/h7,12,14H,3-6,8-9H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one?
2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one has a molecular weight of 251.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63794382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).