5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine

C12H14BrN5O — CID 114252987

IUPAC5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(C)c(Nc2nc(NN)ncc2Br)c1
InChIInChI=1S/C12H14BrN5O/c1-7-3-4-8(19-2)5-10(7)16-11-9(13)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyKDYFOCVVOZGUND-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.59
Rot. Bonds4

About 5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine (PubChem CID 114252987) has the molecular formula C12H14BrN5O and a molecular weight of 324.18 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
PubChem CID114252987
Molecular FormulaC12H14BrN5O
Molecular Weight324.18 g/mol
Exact Mass323.04
IUPAC Name5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(C)c(Nc2nc(NN)ncc2Br)c1
InChIInChI=1S/C12H14BrN5O/c1-7-3-4-8(19-2)5-10(7)16-11-9(13)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyKDYFOCVVOZGUND-UHFFFAOYSA-N
XLogP2.59
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.59
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

5-bromo-N-(2-fluoro-5-methoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80929812
5-chloro-2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80918932
5-bromo-4-N-(2,4-dimethoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80763611
5-bromo-N-(2-bromo-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930663
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80789337
5-bromo-N-(2,5-difluoro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 103587907
4-N-(2-bromo-5-methoxyphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80847879
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927969
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80788736
4-N-(4-methoxy-2-methylphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80824828
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80789415

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine (CID 114252987) is 5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine is COc1ccc(C)c(Nc2nc(NN)ncc2Br)c1.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine?
The InChIKey is KDYFOCVVOZGUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O/c1-7-3-4-8(19-2)5-10(7)16-11-9(13)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine has a molecular weight of 324.18 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(5-methoxy-2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 114252987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).