N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

C14H18BrN5O — CID 80902212

IUPACN-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCOc1ccc(Br)cc1Nc1ncnc(NN)c1C(C)C
InChIInChI=1S/C14H18BrN5O/c1-8(2)12-13(17-7-18-14(12)20-16)19-10-6-9(15)4-5-11(10)21-3/h4-8H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyBUWRKIXJLMSLHK-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.40
Rot. Bonds5

About N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80902212) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80902212
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC NameN-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCOc1ccc(Br)cc1Nc1ncnc(NN)c1C(C)C
InChIInChI=1S/C14H18BrN5O/c1-8(2)12-13(17-7-18-14(12)20-16)19-10-6-9(15)4-5-11(10)21-3/h4-8H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyBUWRKIXJLMSLHK-UHFFFAOYSA-N
XLogP3.40
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-methylphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80921013
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80902077
N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761817
[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924618
4-N-(2,4-dibromophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80800982
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
4-N-(5-bromo-2-chlorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80825284
3-bromo-4-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 107795538
N-(5-chloro-2-fluorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80906889
[6-(2-methoxy-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80909009
N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80927804
5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine
CID 79073075

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (CID 80902212) is N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is COc1ccc(Br)cc1Nc1ncnc(NN)c1C(C)C.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is BUWRKIXJLMSLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-8(2)12-13(17-7-18-14(12)20-16)19-10-6-9(15)4-5-11(10)21-3/h4-8H,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 352.24 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80902212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).