4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine

C20H15BrN4O — CID 22541455

IUPAC4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Br)cc2)ncnc1Oc1cccc2ccccc12
InChIInChI=1S/C20H15BrN4O/c21-14-8-10-15(11-9-14)25-19-18(22)20(24-12-23-19)26-17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,22H2,(H,23,24,25)
InChIKeyPWKUZMDUGGFKGF-UHFFFAOYSA-N
MW407.27 g/mol
LogP5.51
Rot. Bonds4

About 4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine

4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine (PubChem CID 22541455) has the molecular formula C20H15BrN4O and a molecular weight of 407.27 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
PubChem CID22541455
Molecular FormulaC20H15BrN4O
Molecular Weight407.27 g/mol
Exact Mass406.04
IUPAC Name4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(Br)cc2)ncnc1Oc1cccc2ccccc12
InChIInChI=1S/C20H15BrN4O/c21-14-8-10-15(11-9-14)25-19-18(22)20(24-12-23-19)26-17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,22H2,(H,23,24,25)
InChIKeyPWKUZMDUGGFKGF-UHFFFAOYSA-N
XLogP5.51
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.27
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541507
4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141939
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541350
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541503
4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541353
6-(5-bromoquinolin-8-yl)oxy-4-N-(4-methylphenyl)pyrimidine-4,5-diamine
CID 19148613
4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 22547806
6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 22541555
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22541342

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine (CID 22541455) is 4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine is Nc1c(Nc2ccc(Br)cc2)ncnc1Oc1cccc2ccccc12.
What is the InChIKey of 4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
The InChIKey is PWKUZMDUGGFKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O/c21-14-8-10-15(11-9-14)25-19-18(22)20(24-12-23-19)26-17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,22H2,(H,23,24,25).
What are the key properties of 4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine has a molecular weight of 407.27 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 22541455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).