4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one

C11H17N3O2 — CID 136870665

IUPAC4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2(C)CCOC2C)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-11(3,4-5-16-7)14-9-6-10(15)13-8(2)12-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyDYEGPFNKQBZFTK-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.06
Rot. Bonds2

About 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136870665) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136870665
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2(C)CCOC2C)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-11(3,4-5-16-7)14-9-6-10(15)13-8(2)12-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyDYEGPFNKQBZFTK-UHFFFAOYSA-N
XLogP1.06
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

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Related Compounds

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136730475
4-[(2,3-dimethyloxolan-3-yl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136870664
2-cyclopropyl-4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870667
4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136870670
2-methyl-4-[(2-methyloxolan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136905782
4-[(2,3-dimethyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136948172
2-methyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136957045
2-ethyl-4-[(2-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136976611
4-[(2-methyloxolan-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976615
2-ethyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136977161
2-cyclopropyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136977165
2-methyl-4-[(3-methyloxolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136977166

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136870665) is 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC2(C)CCOC2C)cc(=O)[nH]1.
What is the InChIKey of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DYEGPFNKQBZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-11(3,4-5-16-7)14-9-6-10(15)13-8(2)12-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethyloxolan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136870665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).