ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid

C12H20N2O2 — CID 165405571

IUPACethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid
SMILESCC.CC.O=C(O)C1CC1c1ncccn1
InChIInChI=1S/C8H8N2O2.2C2H6/c11-8(12)6-4-5(6)7-9-2-1-3-10-7;2*1-2/h1-3,5-6H,4H2,(H,11,12);2*1-2H3
InChIKeyLKQCINPWCXYFJX-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.72
Rot. Bonds2

About ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid

ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid (PubChem CID 165405571) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nameethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid
PubChem CID165405571
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid
SMILESCC.CC.O=C(O)C1CC1c1ncccn1
InChIInChI=1S/C8H8N2O2.2C2H6/c11-8(12)6-4-5(6)7-9-2-1-3-10-7;2*1-2/h1-3,5-6H,4H2,(H,11,12);2*1-2H3
InChIKeyLKQCINPWCXYFJX-UHFFFAOYSA-N
XLogP2.72
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-pyrimidin-2-ylcyclobutane-1-carboxylic acid
CID 137356594
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
ethane;2-(6-methyl-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 170751211
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
trans-(1R,2R)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
CID 39235850
4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114391221
cis-(1R,2S)-4-methyl-2-(pyrimidin-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114092674
1-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]ethanone
CID 165134383
2-quinolin-3-ylcyclopropane-1-carboxylic acid
CID 67290101
cis-(1R,2S)-2-(pyrimidin-2-ylamino)cyclopentane-1-carboxylic acid
CID 164653891
2-(2-methyl-1,3-thiazol-5-yl)cyclopropane-1-carboxylic acid
CID 130580399
2-(5-methyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878956

Frequently Asked Questions

What is the IUPAC name of ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid (CID 165405571) is ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid is CC.CC.O=C(O)C1CC1c1ncccn1.
What is the InChIKey of ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is LKQCINPWCXYFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.2C2H6/c11-8(12)6-4-5(6)7-9-2-1-3-10-7;2*1-2/h1-3,5-6H,4H2,(H,11,12);2*1-2H3.
What are the key properties of ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid?
ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 224.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-pyrimidin-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 165405571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).