N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

C11H10ClF2N5 — CID 83082645

IUPACN-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)ncnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H10ClF2N5/c1-5-10(16-4-17-11(5)19-15)18-9-7(12)2-6(13)3-8(9)14/h2-4H,15H2,1H3,(H2,16,17,18,19)
InChIKeyRFJNBJHSOJLBEK-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.75
Rot. Bonds3

About N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine

N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (PubChem CID 83082645) has the molecular formula C11H10ClF2N5 and a molecular weight of 285.69 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
PubChem CID83082645
Molecular FormulaC11H10ClF2N5
Molecular Weight285.69 g/mol
Exact Mass285.06
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
SMILESCc1c(NN)ncnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H10ClF2N5/c1-5-10(16-4-17-11(5)19-15)18-9-7(12)2-6(13)3-8(9)14/h2-4H,15H2,1H3,(H2,16,17,18,19)
InChIKeyRFJNBJHSOJLBEK-UHFFFAOYSA-N
XLogP2.75
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.75
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-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 83082819
N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 83083447
6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine
CID 83087255
4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 83082644
3-N-(2-chloro-4,6-difluorophenyl)pyrazine-2,3-diamine
CID 102987080
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897397
6-N-ethyl-5-methyl-4-N-(2,4,6-trifluorophenyl)pyrimidine-4,6-diamine
CID 80856039
4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 83072877
N-(2,5-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80920264
3-chloro-2-N-(2-chloro-4,6-difluorophenyl)pyridine-2,5-diamine
CID 114046291
3,5-dichloro-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyridin-2-amine
CID 102762228
3,5-dichloro-N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinylpyridin-2-amine
CID 102762509

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine (CID 83082645) is N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is Cc1c(NN)ncnc1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
The InChIKey is RFJNBJHSOJLBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N5/c1-5-10(16-4-17-11(5)19-15)18-9-7(12)2-6(13)3-8(9)14/h2-4H,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine?
N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine has a molecular weight of 285.69 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 83082645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).