1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid

C20H20N4O3 — CID 22541547

IUPAC1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1c(Oc2cccc3ccccc23)ncnc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C20H20N4O3/c21-17-18(24-10-8-14(9-11-24)20(25)26)22-12-23-19(17)27-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11,21H2,(H,25,26)
InChIKeyGGPNDDJRDPIPDS-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.31
Rot. Bonds4

About 1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid

1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 22541547) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID22541547
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESNc1c(Oc2cccc3ccccc23)ncnc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C20H20N4O3/c21-17-18(24-10-8-14(9-11-24)20(25)26)22-12-23-19(17)27-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11,21H2,(H,25,26)
InChIKeyGGPNDDJRDPIPDS-UHFFFAOYSA-N
XLogP3.31
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377
1-[5-amino-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19138681
1-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)azepane
CID 23479857
1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19148218
4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140409
1-(5,6-diaminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 19137230
1-[5-amino-6-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19154022
4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541556
1-[5-amino-6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19142653
1-(5-nitro-6-phenoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22537397
4-(4-benzylpiperidin-1-yl)-6-(5-bromoquinolin-8-yl)oxypyrimidin-5-amine
CID 19139513
1-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19144981

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid (CID 22541547) is 1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid is Nc1c(Oc2cccc3ccccc23)ncnc1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is GGPNDDJRDPIPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c21-17-18(24-10-8-14(9-11-24)20(25)26)22-12-23-19(17)27-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,12,14H,8-11,21H2,(H,25,26).
What are the key properties of 1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 364.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 22541547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).