5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one

C13H21N3O2 — CID 114206346

IUPAC5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESCC(C)(C)NCc1cnc(C2CCOC2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-13(2,3)15-7-10-6-14-11(16-12(10)17)9-4-5-18-8-9/h6,9,15H,4-5,7-8H2,1-3H3,(H,14,16,17)
InChIKeyGKVKCGDUGIEKDO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.16
Rot. Bonds3

About 5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one

5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one (PubChem CID 114206346) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one
PubChem CID114206346
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESCC(C)(C)NCc1cnc(C2CCOC2)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-13(2,3)15-7-10-6-14-11(16-12(10)17)9-4-5-18-8-9/h6,9,15H,4-5,7-8H2,1-3H3,(H,14,16,17)
InChIKeyGKVKCGDUGIEKDO-UHFFFAOYSA-N
XLogP1.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-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-Methyl-5-{[3-(propoxymethyl)pyrrolidin-1-yl]carbonyl}pyrimidin-4-ol
CID 72901336
2-cyclopropyl-N-(3-ethoxypropyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74230436
5-(methylaminomethyl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
CID 84131866
2-methyl-5-[(3R)-3-(propoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97138691
2-methyl-5-[(3S)-3-(propoxymethyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97138692
5-(aminomethyl)-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
CID 104189931
5-(aminomethyl)-2-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 104189970
5-(aminomethyl)-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 104189992
5-(aminomethyl)-2-(2-ethoxyethyl)-1H-pyrimidin-6-one
CID 106815832
5-(ethylaminomethyl)-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 114206230
5-(ethylaminomethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 114206240
2-(2-methoxypropyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206264

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one (CID 114206346) is 5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one is CC(C)(C)NCc1cnc(C2CCOC2)[nH]c1=O.
What is the InChIKey of 5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is GKVKCGDUGIEKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)15-7-10-6-14-11(16-12(10)17)9-4-5-18-8-9/h6,9,15H,4-5,7-8H2,1-3H3,(H,14,16,17).
What are the key properties of 5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-2-(oxolan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).