2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine

C12H12F2N4 — CID 80805540

IUPAC2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12F2N4/c1-15-11-6-16-7-12(18-11)17-5-8-2-3-9(13)10(14)4-8/h2-4,6-7H,5H2,1H3,(H2,15,17,18)
InChIKeyMPJWFYBECQVTIA-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.41
Rot. Bonds4

About 2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine

2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine (PubChem CID 80805540) has the molecular formula C12H12F2N4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine
PubChem CID80805540
Molecular FormulaC12H12F2N4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine
SMILESCNc1cncc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H12F2N4/c1-15-11-6-16-7-12(18-11)17-5-8-2-3-9(13)10(14)4-8/h2-4,6-7H,5H2,1H3,(H2,15,17,18)
InChIKeyMPJWFYBECQVTIA-UHFFFAOYSA-N
XLogP2.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
CID 78988973
4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80805369
4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934939
4-N-[(3,4-difluorophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961685
6-N-[(3,4-difluorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80805276
5-chloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 54966254
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804623
N-[(3,4-difluorophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80904358
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984
N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine (CID 80805540) is 2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine is CNc1cncc(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine?
The InChIKey is MPJWFYBECQVTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4/c1-15-11-6-16-7-12(18-11)17-5-8-2-3-9(13)10(14)4-8/h2-4,6-7H,5H2,1H3,(H2,15,17,18).
What are the key properties of 2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine?
2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine has a molecular weight of 250.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine is sourced from PubChem (CID 80805540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).