4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine

C15H12BrN3O — CID 80866110

IUPAC4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H12BrN3O/c1-9-8-18-15(17)19-14(9)20-12-7-6-10-4-2-3-5-11(10)13(12)16/h2-8H,1H3,(H2,17,18,19)
InChIKeyYFCAWWOPIBTCMZ-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.08
Rot. Bonds2

About 4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine

4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine (PubChem CID 80866110) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine
PubChem CID80866110
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine
SMILESCc1cnc(N)nc1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C15H12BrN3O/c1-9-8-18-15(17)19-14(9)20-12-7-6-10-4-2-3-5-11(10)13(12)16/h2-8H,1H3,(H2,17,18,19)
InChIKeyYFCAWWOPIBTCMZ-UHFFFAOYSA-N
XLogP4.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine
CID 80637587
4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine
CID 80875950
6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine
CID 54910912
5-bromo-4-(1-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80866651
4-(1-bromonaphthalen-2-yl)oxy-6-chloro-5-methylpyrimidine
CID 63735544
5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388419
4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine
CID 82825383
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbothioamide
CID 62684642
2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide
CID 61028499
2-(1-bromonaphthalen-2-yl)oxy-3,5,6-trichloropyridine
CID 102749474
4-(1-bromonaphthalen-2-yl)oxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80867027
3-(1-bromonaphthalen-2-yl)oxypyrazine-2-carbonitrile
CID 62672685

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine (CID 80866110) is 4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine is Cc1cnc(N)nc1Oc1ccc2ccccc2c1Br.
What is the InChIKey of 4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine?
The InChIKey is YFCAWWOPIBTCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-9-8-18-15(17)19-14(9)20-12-7-6-10-4-2-3-5-11(10)13(12)16/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine?
4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine has a molecular weight of 330.19 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80866110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).