N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

C12H13ClFN5O2 — CID 80911429

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCOc1cc(Nc2nc(NN)ncc2F)c(OC)cc1Cl
InChIInChI=1S/C12H13ClFN5O2/c1-20-9-4-8(10(21-2)3-6(9)13)17-11-7(14)5-16-12(18-11)19-15/h3-5H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyJZOARFTZPZRIAP-UHFFFAOYSA-N
MW313.72 g/mol
LogP2.32
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80911429) has the molecular formula C12H13ClFN5O2 and a molecular weight of 313.72 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID80911429
Molecular FormulaC12H13ClFN5O2
Molecular Weight313.72 g/mol
Exact Mass313.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCOc1cc(Nc2nc(NN)ncc2F)c(OC)cc1Cl
InChIInChI=1S/C12H13ClFN5O2/c1-20-9-4-8(10(21-2)3-6(9)13)17-11-7(14)5-16-12(18-11)19-15/h3-5H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyJZOARFTZPZRIAP-UHFFFAOYSA-N
XLogP2.32
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-chloro-2,5-dimethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80913118
N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80920092
N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 107531935
N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927122
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 66340346
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80926961
4-N-(5-chloro-2-methoxyphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80737026
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80913116
4-N-(5-bromo-2-methoxyphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80804520
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-5-methylpyridin-2-amine
CID 105367588
4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80749225
2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83026990

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 80911429) is N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is COc1cc(Nc2nc(NN)ncc2F)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is JZOARFTZPZRIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN5O2/c1-20-9-4-8(10(21-2)3-6(9)13)17-11-7(14)5-16-12(18-11)19-15/h3-5H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 313.72 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80911429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).