2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid

C11H14N2O3 — CID 83917774

IUPAC2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(C2CCOCC2)cn1
InChIInChI=1S/C11H14N2O3/c14-11(15)5-10-12-6-9(7-13-10)8-1-3-16-4-2-8/h6-8H,1-5H2,(H,14,15)
InChIKeyLARCOHAVHJVNHX-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.00
Rot. Bonds3

About 2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid

2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid (PubChem CID 83917774) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid
PubChem CID83917774
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid
SMILESO=C(O)Cc1ncc(C2CCOCC2)cn1
InChIInChI=1S/C11H14N2O3/c14-11(15)5-10-12-6-9(7-13-10)8-1-3-16-4-2-8/h6-8H,1-5H2,(H,14,15)
InChIKeyLARCOHAVHJVNHX-UHFFFAOYSA-N
XLogP1.00
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Pyrimidin-5-yl)propanoic acid
CID 17889103
2-Methyl-5-(tetrahydro-2H-pyran-4-yl)pyrimidine
CID 132531110
Methyl 3-[2-(fluoromethyl)pyrimidin-5-yl]propanoate
CID 117998724
5-(Oxan-4-yl)-2-(trifluoromethyl)pyrimidine
CID 141720638
(3S)-3-(2-methylpyrimidin-5-yl)-4-(trifluoromethyl)hexanoic acid
CID 165405351
Ethyl 2-methyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]propanoate
CID 168907768
3-Pyrimidin-5-ylpropyl acetate
CID 138974434
Ethyl 3-[2-(trifluoromethyl)pyrimidin-5-yl]propanoate
CID 71362107
4,4,4-Trifluoro-3-(2-methylpyrimidin-5-yl)butanoic acid
CID 83824186
2,2-Difluoro-2-[5-(2-methylpropyl)pyrimidin-2-yl]acetic acid
CID 84726244
4,4-Dimethyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]pentanoic acid
CID 150660275
4,4-Dimethyl-3-[2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]pentanoic acid
CID 150666777

Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid (CID 83917774) is 2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid is O=C(O)Cc1ncc(C2CCOCC2)cn1.
What is the InChIKey of 2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid?
The InChIKey is LARCOHAVHJVNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11(15)5-10-12-6-9(7-13-10)8-1-3-16-4-2-8/h6-8H,1-5H2,(H,14,15).
What are the key properties of 2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid?
2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid has a molecular weight of 222.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxan-4-yl)pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 83917774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).