4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine

C17H13N5O — CID 22541556

IUPAC4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine
SMILESNc1c(Oc2cccc3ccccc23)ncnc1-n1ccnc1
InChIInChI=1S/C17H13N5O/c18-15-16(22-9-8-19-11-22)20-10-21-17(15)23-14-7-3-5-12-4-1-2-6-13(12)14/h1-11H,18H2
InChIKeyXFDMUWHCKIDGTG-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.19
Rot. Bonds3

About 4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine

4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine (PubChem CID 22541556) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine
PubChem CID22541556
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine
SMILESNc1c(Oc2cccc3ccccc23)ncnc1-n1ccnc1
InChIInChI=1S/C17H13N5O/c18-15-16(22-9-8-19-11-22)20-10-21-17(15)23-14-7-3-5-12-4-1-2-6-13(12)14/h1-11H,18H2
InChIKeyXFDMUWHCKIDGTG-UHFFFAOYSA-N
XLogP3.19
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
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-naphthalen-1-yloxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22541547
4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22541342
4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541455
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541503
6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
CID 80865916
4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541401
6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 22541555
4-N-(2-ethylphenyl)-6-imidazol-1-ylpyrimidine-4,5-diamine
CID 22544226
3-[(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-(2-cyanoethyl)amino]propanenitrile
CID 22541400
4-N-(3-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541507
4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19153617

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine?
The IUPAC name of 4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine (CID 22541556) is 4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine?
The canonical SMILES for 4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine is Nc1c(Oc2cccc3ccccc23)ncnc1-n1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine?
The InChIKey is XFDMUWHCKIDGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-15-16(22-9-8-19-11-22)20-10-21-17(15)23-14-7-3-5-12-4-1-2-6-13(12)14/h1-11H,18H2.
What are the key properties of 4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine?
4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine has a molecular weight of 303.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine is sourced from PubChem (CID 22541556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).