6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine

C6H9ClFN5 — CID 143803922

IUPAC6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine
SMILESCNNc1nc(Cl)c(F)c(NC)n1
InChIInChI=1S/C6H9ClFN5/c1-9-5-3(8)4(7)11-6(12-5)13-10-2/h10H,1-2H3,(H2,9,11,12,13)
InChIKeyQESHBKFVHUCFAO-UHFFFAOYSA-N
MW205.62 g/mol
LogP0.86
Rot. Bonds3

About 6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine

6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine (PubChem CID 143803922) has the molecular formula C6H9ClFN5 and a molecular weight of 205.62 g/mol. Its IUPAC name is 6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine
PubChem CID143803922
Molecular FormulaC6H9ClFN5
Molecular Weight205.62 g/mol
Exact Mass205.05
IUPAC Name6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine
SMILESCNNc1nc(Cl)c(F)c(NC)n1
InChIInChI=1S/C6H9ClFN5/c1-9-5-3(8)4(7)11-6(12-5)13-10-2/h10H,1-2H3,(H2,9,11,12,13)
InChIKeyQESHBKFVHUCFAO-UHFFFAOYSA-N
XLogP0.86
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-6-chloro-2,4-pyrimidinediamine
CID 15221578
5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine
CID 20705364
4-Chloro-5-fluoro-6-hydrazino-2-(methylthio)pyrimidine
CID 86636914
2-chloro-5-fluoro-6-hydrazino-N-(1-methylethyl)-4-pyrimidinamine
CID 86636922
2,4-Dichloro-5-fluoro-6-hydrazinopyrimidine
CID 86637037
[4-Chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 87210141
6-chloro-5-fluoro-N-methylpyrimidin-4-amine
CID 87243797
(6-Chloro-5-fluoro-2-methylpyrimidin-4-yl)hydrazine
CID 88975335
6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 91150261
2-ethyl-5-fluoro-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 141303995
2-Chloro-5-fluoro-6-(2-methylhydrazinyl)pyrimidin-4-amine
CID 143803849
2-chloro-5-fluoro-N-methyl-6-(2-methylhydrazinyl)pyrimidin-4-amine
CID 145587300

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine (CID 143803922) is 6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine is CNNc1nc(Cl)c(F)c(NC)n1.
What is the InChIKey of 6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine?
The InChIKey is QESHBKFVHUCFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClFN5/c1-9-5-3(8)4(7)11-6(12-5)13-10-2/h10H,1-2H3,(H2,9,11,12,13).
What are the key properties of 6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine?
6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine has a molecular weight of 205.62 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-N-methyl-2-(2-methylhydrazinyl)pyrimidin-4-amine is sourced from PubChem (CID 143803922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).