2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid

C16H16N2O2 — CID 82305106

IUPAC2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cncnc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H16N2O2/c19-15(20)8-14-9-17-10-18-16(14)13-6-5-11-3-1-2-4-12(11)7-13/h5-7,9-10H,1-4,8H2,(H,19,20)
InChIKeyHZAOUJNRYWQFNV-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.65
Rot. Bonds3

About 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid

2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid (PubChem CID 82305106) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid
PubChem CID82305106
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid
SMILESO=C(O)Cc1cncnc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H16N2O2/c19-15(20)8-14-9-17-10-18-16(14)13-6-5-11-3-1-2-4-12(11)7-13/h5-7,9-10H,1-4,8H2,(H,19,20)
InChIKeyHZAOUJNRYWQFNV-UHFFFAOYSA-N
XLogP2.65
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-hydroxyphenyl)pyrimidin-5-yl]acetic acid
CID 105487587
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-5-yl]acetic acid
CID 116852061
2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482936
2-[5-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]acetic acid
CID 82488178
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062351
2-[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 82488298
4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
CID 116899724
5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazole-2-carboxylic acid
CID 82081323
2-[4-bromo-5-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazol-3-yl]acetic acid
CID 84610283
2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]acetic acid
CID 82167208
2-[2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-1-yl]acetic acid
CID 82305966
5-(2,3-dihydro-1H-inden-5-yl)-3-methylimidazole-4-carboxylic acid
CID 83672848

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid (CID 82305106) is 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid is O=C(O)Cc1cncnc1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid?
The InChIKey is HZAOUJNRYWQFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-15(20)8-14-9-17-10-18-16(14)13-6-5-11-3-1-2-4-12(11)7-13/h5-7,9-10H,1-4,8H2,(H,19,20).
What are the key properties of 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid?
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid has a molecular weight of 268.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 82305106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).