2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol

C9H12N2O3 — CID 168998357

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol
SMILESCC1(C)OCC(c2ncc(O)cn2)O1
InChIInChI=1S/C9H12N2O3/c1-9(2)13-5-7(14-9)8-10-3-6(12)4-11-8/h3-4,7,12H,5H2,1-2H3
InChIKeyIYOWICCIDUYVGS-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.01
Rot. Bonds1

About 2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol

2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol (PubChem CID 168998357) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol
PubChem CID168998357
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol
SMILESCC1(C)OCC(c2ncc(O)cn2)O1
InChIInChI=1S/C9H12N2O3/c1-9(2)13-5-7(14-9)8-10-3-6(12)4-11-8/h3-4,7,12H,5H2,1-2H3
InChIKeyIYOWICCIDUYVGS-UHFFFAOYSA-N
XLogP1.01
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-nitropyridine
CID 71238219
1-[5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]-3,3-dimethylbutan-2-one
CID 58174291
4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline
CID 117275390
[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-pyridinyl]carbamic acid
CID 175806150
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3-thiazole-4-carboxylic acid
CID 10944231
2-(5,6-dichloro-3-pyridinyl)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-1,3,4-oxadiazole
CID 89189218
2-(5,6-dichloro-3-pyridinyl)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,4-oxadiazole
CID 90374128
4-(4-ethynylphenyl)-2,2-dimethyl-1,3-dioxolane
CID 151208021
(3aR,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxole
CID 11230242
2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]acetic acid
CID 117344858
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methylpyrimidin-2-amine
CID 104772350

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol (CID 168998357) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol is CC1(C)OCC(c2ncc(O)cn2)O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol?
The InChIKey is IYOWICCIDUYVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(2)13-5-7(14-9)8-10-3-6(12)4-11-8/h3-4,7,12H,5H2,1-2H3.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol has a molecular weight of 196.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)pyrimidin-5-ol is sourced from PubChem (CID 168998357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).