4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine

C14H10BrN3O — CID 66340180

IUPAC4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine
SMILESNc1ccc(Oc2ncncc2Br)c2ccccc12
InChIInChI=1S/C14H10BrN3O/c15-11-7-17-8-18-14(11)19-13-6-5-12(16)9-3-1-2-4-10(9)13/h1-8H,16H2
InChIKeyXFWBTUAMLCBLRZ-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.77
Rot. Bonds2

About 4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine

4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine (PubChem CID 66340180) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine.

Molecular Properties

Compound Name4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine
PubChem CID66340180
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine
SMILESNc1ccc(Oc2ncncc2Br)c2ccccc12
InChIInChI=1S/C14H10BrN3O/c15-11-7-17-8-18-14(11)19-13-6-5-12(16)9-3-1-2-4-10(9)13/h1-8H,16H2
InChIKeyXFWBTUAMLCBLRZ-UHFFFAOYSA-N
XLogP3.77
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(16E)-11-methoxy-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739742
1-(4-(3-(2-(Methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-3-phenylurea
CID 44581565
1-Tert-butyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)urea
CID 46890314
1-Ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)urea
CID 46890315
11-Methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 73321222
11-Methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,16,20,22-decaene
CID 73321223
1-[4-[6-(Methylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 164621989
2-Methyl-4-(pyrimidin-2-yloxy)aniline
CID 16776604
4-[[5-Methyl-4-(2-naphthyloxy)pyrimidin-2-yl]amino]benzonitrile
CID 25114981
4-[[4-(2-Naphthyloxy)pyrimidin-2-yl]amino]benzonitrile
CID 25117039
4-[[4-(1-Naphthyloxy)pyrimidin-2-yl]amino]benzonitrile
CID 25117260
4-[[5-Methyl-4-(1-naphthyloxy)pyrimidin-2-yl]amino]benzonitrile
CID 25117261

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine?
The IUPAC name of 4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine (CID 66340180) is 4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine.
What is the SMILES notation for 4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine?
The canonical SMILES for 4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine is Nc1ccc(Oc2ncncc2Br)c2ccccc12.
What is the InChIKey of 4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine?
The InChIKey is XFWBTUAMLCBLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-11-7-17-8-18-14(11)19-13-6-5-12(16)9-3-1-2-4-10(9)13/h1-8H,16H2.
What are the key properties of 4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine?
4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine has a molecular weight of 316.16 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrimidin-4-yl)oxynaphthalen-1-amine is sourced from PubChem (CID 66340180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).