4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid

C15H14N2O2 — CID 116899724

IUPAC4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C15H14N2O2/c18-15(19)14-16-8-7-13(17-14)12-6-5-10-3-1-2-4-11(10)9-12/h5-9H,1-4H2,(H,18,19)
InChIKeyMXXOXYZFDZMIEK-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.72
Rot. Bonds2

About 4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid

4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid (PubChem CID 116899724) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
PubChem CID116899724
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(-c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C15H14N2O2/c18-15(19)14-16-8-7-13(17-14)12-6-5-10-3-1-2-4-11(10)9-12/h5-9H,1-4H2,(H,18,19)
InChIKeyMXXOXYZFDZMIEK-UHFFFAOYSA-N
XLogP2.72
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone
CID 116901436
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
CID 116900518
2-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypyridine-4-carboxylic acid
CID 116864741
[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
CID 116904113
5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55184374
N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
CID 116898504
2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid
CID 82049589
2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
CID 82305966
4-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidine-2-carboxylic acid
CID 134142257
3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile
CID 116901099
5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
CID 82081323
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid
CID 50889237

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid (CID 116899724) is 4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid is O=C(O)c1nccc(-c2ccc3c(c2)CCCC3)n1.
What is the InChIKey of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid?
The InChIKey is MXXOXYZFDZMIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-15(19)14-16-8-7-13(17-14)12-6-5-10-3-1-2-4-11(10)9-12/h5-9H,1-4H2,(H,18,19).
What are the key properties of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid?
4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid has a molecular weight of 254.29 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 4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 116899724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).