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

C10H15N3O2 — CID 136870670

IUPAC4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1OCCC1(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O2/c1-7-10(2,3-4-15-7)13-8-5-9(14)12-6-11-8/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyCKNCPIRIAZYPJK-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.75
Rot. Bonds2

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

4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136870670) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136870670
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one
SMILESCC1OCCC1(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C10H15N3O2/c1-7-10(2,3-4-15-7)13-8-5-9(14)12-6-11-8/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyCKNCPIRIAZYPJK-UHFFFAOYSA-N
XLogP0.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one (CID 136870670) is 4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one is CC1OCCC1(C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is CKNCPIRIAZYPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-10(2,3-4-15-7)13-8-5-9(14)12-6-11-8/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one?
4-[(2,3-dimethyloxolan-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.75, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 136870670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).