N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

C12H14BrN5 — CID 80921046

IUPACN-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ncnc(NN)c2C)ccc1Br
InChIInChI=1S/C12H14BrN5/c1-7-5-9(3-4-10(7)13)17-11-8(2)12(18-14)16-6-15-11/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyQSZRMALFLWXHIA-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.89
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 80921046) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID80921046
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC NameN-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ncnc(NN)c2C)ccc1Br
InChIInChI=1S/C12H14BrN5/c1-7-5-9(3-4-10(7)13)17-11-8(2)12(18-14)16-6-15-11/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyQSZRMALFLWXHIA-UHFFFAOYSA-N
XLogP2.89
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-6-chloro-5-methylpyrimidin-4-amine
CID 55229097
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80920273
N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
CID 66340130
N-(4-chloro-3-methoxyphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 107623693
1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297977
N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875185
6-hydrazinyl-5-methyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894168
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80914838
4-N-(4-bromo-3-methylphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80759625
4-N-(3-bromo-4-iodophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114262788
N-(4-bromo-3-methylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584515
6-N-(4-bromophenyl)-4-N-(3,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22546240

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 80921046) is N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is Cc1cc(Nc2ncnc(NN)c2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is QSZRMALFLWXHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-7-5-9(3-4-10(7)13)17-11-8(2)12(18-14)16-6-15-11/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80921046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).