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

C14H18BrN5O — CID 80902077

IUPACN-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1Nc1cc(Br)ccc1OC
InChIInChI=1S/C14H18BrN5O/c1-3-4-10-13(17-8-18-14(10)20-16)19-11-7-9(15)5-6-12(11)21-2/h5-8H,3-4,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyLMLHXKYMTOJCTB-UHFFFAOYSA-N
MW352.24 g/mol
LogP3.23
Rot. Bonds6

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

N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine (PubChem CID 80902077) 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-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
PubChem CID80902077
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC NameN-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1Nc1cc(Br)ccc1OC
InChIInChI=1S/C14H18BrN5O/c1-3-4-10-13(17-8-18-14(10)20-16)19-11-7-9(15)5-6-12(11)21-2/h5-8H,3-4,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyLMLHXKYMTOJCTB-UHFFFAOYSA-N
XLogP3.23
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 53.23
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

4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
CID 107802049
4-N-(5-bromo-2-methoxyphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80804931
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80902212
N-(2-chloro-5-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80901649
6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768641
N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761817
N-(3-bromo-4-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80925138
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80914838
N-(2-bromo-5-methoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924194
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
CID 80911879

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine (CID 80902077) is N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1Nc1cc(Br)ccc1OC.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
The InChIKey is LMLHXKYMTOJCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-3-4-10-13(17-8-18-14(10)20-16)19-11-7-9(15)5-6-12(11)21-2/h5-8H,3-4,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine?
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine has a molecular weight of 352.24 g/mol, XLogP of 3.23, 6 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-propylpyrimidin-4-amine is sourced from PubChem (CID 80902077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).