2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

C9H13F2N5O — CID 136986756

IUPAC2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N(C)CC(F)F)n1
InChIInChI=1S/C9H13F2N5O/c1-5-3-6(8(12)15-17)14-9(13-5)16(2)4-7(10)11/h3,7,17H,4H2,1-2H3,(H2,12,15)
InChIKeyAWGXYUMEWRZFPJ-UHFFFAOYSA-N
MW245.23 g/mol
LogP0.58
Rot. Bonds4

About 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide

2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (PubChem CID 136986756) has the molecular formula C9H13F2N5O and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
PubChem CID136986756
Molecular FormulaC9H13F2N5O
Molecular Weight245.23 g/mol
Exact Mass245.11
IUPAC Name2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N(C)CC(F)F)n1
InChIInChI=1S/C9H13F2N5O/c1-5-3-6(8(12)15-17)14-9(13-5)16(2)4-7(10)11/h3,7,17H,4H2,1-2H3,(H2,12,15)
InChIKeyAWGXYUMEWRZFPJ-UHFFFAOYSA-N
XLogP0.58
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-6-methyl-2-[methyl(2-methylpropyl)amino]pyrimidine-4-carboximidamide
CID 136635931
N'-hydroxy-2-[2-methoxyethyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 136986713
N'-hydroxy-6-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]pyrimidine-4-carboximidamide
CID 136906374
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906614
2-[cyclopropyl(2-methylpropyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906591
3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54992230
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136986706
2-[cyclopropyl(ethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906390
2-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906555
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907295
3-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 137001921
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906821

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide (CID 136986756) is 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(N(C)CC(F)F)n1.
What is the InChIKey of 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
The InChIKey is AWGXYUMEWRZFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N5O/c1-5-3-6(8(12)15-17)14-9(13-5)16(2)4-7(10)11/h3,7,17H,4H2,1-2H3,(H2,12,15).
What are the key properties of 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide?
2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide has a molecular weight of 245.23 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(methyl)amino]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136986756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).