7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C25H21N3O2 — CID 142764791

IUPAC7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(Nc1nccc(-c3ccc4ccccc4c3)n1)CC2
InChIInChI=1S/C25H21N3O2/c29-24(30)20-8-6-17-9-10-22(15-21(17)14-20)27-25-26-12-11-23(28-25)19-7-5-16-3-1-2-4-18(16)13-19/h1-8,11-14,22H,9-10,15H2,(H,29,30)(H,26,27,28)
InChIKeyUKCFGOSNLNBAKC-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.96
Rot. Bonds4

About 7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 142764791) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID142764791
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CC(Nc1nccc(-c3ccc4ccccc4c3)n1)CC2
InChIInChI=1S/C25H21N3O2/c29-24(30)20-8-6-17-9-10-22(15-21(17)14-20)27-25-26-12-11-23(28-25)19-7-5-16-3-1-2-4-18(16)13-19/h1-8,11-14,22H,9-10,15H2,(H,29,30)(H,26,27,28)
InChIKeyUKCFGOSNLNBAKC-UHFFFAOYSA-N
XLogP4.96
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 142764791) is 7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)CC(Nc1nccc(-c3ccc4ccccc4c3)n1)CC2.
What is the InChIKey of 7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is UKCFGOSNLNBAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c29-24(30)20-8-6-17-9-10-22(15-21(17)14-20)27-25-26-12-11-23(28-25)19-7-5-16-3-1-2-4-18(16)13-19/h1-8,11-14,22H,9-10,15H2,(H,29,30)(H,26,27,28).
What are the key properties of 7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 395.46 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-naphthalen-2-ylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 142764791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).