2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one

C11H17N3O2 — CID 136956988

IUPAC2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(C)CCCO2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-13-9(6-10(15)14-8)12-7-11(2)4-3-5-16-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyFBCKPSAMDURHNA-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.06
Rot. Bonds3

About 2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one

2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956988) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956988
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(C)CCCO2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-13-9(6-10(15)14-8)12-7-11(2)4-3-5-16-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyFBCKPSAMDURHNA-UHFFFAOYSA-N
XLogP1.06
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-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-4-[(1-methylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136857183
2-methyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136964282
2-methyl-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824087
6-methyl-N-[(2-methyloxolan-2-yl)methyl]-2-piperidin-4-ylpyrimidin-4-amine
CID 110257564
2-tert-butyl-6-chloro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80951749
2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
CID 110090085
2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 137015526
6-N-[(2-methyloxolan-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80854388
N,N-dimethyl-6-[(2-methyloxolan-2-yl)methylamino]pyridine-2-carboxamide
CID 131932579
5-tert-butyl-N-[(2-methyloxolan-2-yl)methyl]pyridin-2-amine
CID 114011595
2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137015554
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136956988) is 2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one is Cc1nc(NCC2(C)CCCO2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is FBCKPSAMDURHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-13-9(6-10(15)14-8)12-7-11(2)4-3-5-16-11/h6H,3-5,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one?
2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-methyloxolan-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).