N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

C14H18BrN5O — CID 82858768

IUPACN-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1cc(Br)cc(Nc2cc(NN)nc(C(C)C)n2)c1
InChIInChI=1S/C14H18BrN5O/c1-8(2)14-18-12(7-13(19-14)20-16)17-10-4-9(15)5-11(6-10)21-3/h4-8H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyCIWZQTXASHUQEF-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.40
Rot. Bonds5

About N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 82858768) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID82858768
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC NameN-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCOc1cc(Br)cc(Nc2cc(NN)nc(C(C)C)n2)c1
InChIInChI=1S/C14H18BrN5O/c1-8(2)14-18-12(7-13(19-14)20-16)17-10-4-9(15)5-11(6-10)21-3/h4-8H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyCIWZQTXASHUQEF-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

1-N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 80962948
[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969261
2-(3-bromo-5-methoxyanilino)-6-methylpyridine-4-carbonitrile
CID 114766532
N'-(3-bromo-5-methoxyphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442609
6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969003
6-N-(3-bromo-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
CID 82862442
2-N-(3-bromo-5-methoxyphenyl)benzene-1,2-diamine
CID 82857715
2-[4-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]phenyl]acetonitrile
CID 80963733
5-(3-bromo-5-methoxyanilino)pyrazine-2-carbothioamide
CID 82867984
6-(3-bromo-5-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 82859216
N-(2,6-dichlorophenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80969189
5-N-(3-bromo-5-methoxyphenyl)pyridine-2,5-diamine
CID 82857949

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (CID 82858768) is N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is COc1cc(Br)cc(Nc2cc(NN)nc(C(C)C)n2)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is CIWZQTXASHUQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-8(2)14-18-12(7-13(19-14)20-16)17-10-4-9(15)5-11(6-10)21-3/h4-8H,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
N-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-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-(3-bromo-5-methoxyphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82858768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).