2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

C16H16N2O2 — CID 82543388

IUPAC2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)CC1CCCc2ccc(-c3cncnc3)cc21
InChIInChI=1S/C16H16N2O2/c19-16(20)7-13-3-1-2-11-4-5-12(6-15(11)13)14-8-17-10-18-9-14/h4-6,8-10,13H,1-3,7H2,(H,19,20)
InChIKeyBTAARTAOIPPXAV-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.04
Rot. Bonds3

About 2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 82543388) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID82543388
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)CC1CCCc2ccc(-c3cncnc3)cc21
InChIInChI=1S/C16H16N2O2/c19-16(20)7-13-3-1-2-11-4-5-12(6-15(11)13)14-8-17-10-18-9-14/h4-6,8-10,13H,1-3,7H2,(H,19,20)
InChIKeyBTAARTAOIPPXAV-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 82543452
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82542217
5-[3-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]pyrimidine
CID 59435380
2-[7-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 110447418
2-[(1S)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 59021811
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 39098425
2-[6-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 105474204
2-[6-(dimethylamino)-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 83824130
4-(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
CID 82541831
2-(2-amino-5,6,7,8-tetrahydroquinolin-5-yl)acetic acid
CID 70119964
2-[7-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 82542874

Frequently Asked Questions

What is the IUPAC name of 2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (CID 82543388) is 2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is O=C(O)CC1CCCc2ccc(-c3cncnc3)cc21.
What is the InChIKey of 2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is BTAARTAOIPPXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-16(20)7-13-3-1-2-11-4-5-12(6-15(11)13)14-8-17-10-18-9-14/h4-6,8-10,13H,1-3,7H2,(H,19,20).
What are the key properties of 2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 268.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 82543388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).