N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine

C12H13BrFN5O — CID 113401888

IUPACN-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(NN)cc(Nc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H13BrFN5O/c1-20-6-12-17-10(5-11(18-12)19-15)16-7-2-3-8(13)9(14)4-7/h2-5H,6,15H2,1H3,(H2,16,17,18,19)
InChIKeyOMQBVVCNIDIVNU-UHFFFAOYSA-N
MW342.17 g/mol
LogP2.55
Rot. Bonds5

About N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine

N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 113401888) has the molecular formula C12H13BrFN5O and a molecular weight of 342.17 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID113401888
Molecular FormulaC12H13BrFN5O
Molecular Weight342.17 g/mol
Exact Mass341.03
IUPAC NameN-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(NN)cc(Nc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H13BrFN5O/c1-20-6-12-17-10(5-11(18-12)19-15)16-7-2-3-8(13)9(14)4-7/h2-5H,6,15H2,1H3,(H2,16,17,18,19)
InChIKeyOMQBVVCNIDIVNU-UHFFFAOYSA-N
XLogP2.55
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 52.55
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-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937868
4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80941489
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
N-(3-fluoro-4-methoxyphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80894943
4-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80842205
N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 114262880
4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107604540
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
N-(4-bromo-3-chlorophenyl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 107617990
1-N-[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 106761121
[2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83234575

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine (CID 113401888) is N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(NN)cc(Nc2ccc(Br)c(F)c2)n1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is OMQBVVCNIDIVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN5O/c1-20-6-12-17-10(5-11(18-12)19-15)16-7-2-3-8(13)9(14)4-7/h2-5H,6,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine?
N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 342.17 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 113401888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).