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

C11H10F2N4 — CID 78988973

IUPAC2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
SMILESNc1cncc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H10F2N4/c12-8-2-1-7(3-9(8)13)4-16-11-6-15-5-10(14)17-11/h1-3,5-6H,4H2,(H3,14,16,17)
InChIKeyYFUKXIUPVPHOPF-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.95
Rot. Bonds3

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

2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine (PubChem CID 78988973) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
PubChem CID78988973
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine
SMILESNc1cncc(NCc2ccc(F)c(F)c2)n1
InChIInChI=1S/C11H10F2N4/c12-8-2-1-7(3-9(8)13)4-16-11-6-15-5-10(14)17-11/h1-3,5-6H,4H2,(H3,14,16,17)
InChIKeyYFUKXIUPVPHOPF-UHFFFAOYSA-N
XLogP1.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80805540
2-N-benzylpyrazine-2,6-diamine
CID 70838336
6-N-[(3,4-difluorophenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717976
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 80804456
6-chloro-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-2,4-diamine
CID 78974714
5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
CID 54965666
2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
CID 80961888
4-N-[(3,4-difluorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564540
2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
CID 78988760
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine?
The IUPAC name of 2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine (CID 78988973) is 2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine is Nc1cncc(NCc2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine?
The InChIKey is YFUKXIUPVPHOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c12-8-2-1-7(3-9(8)13)4-16-11-6-15-5-10(14)17-11/h1-3,5-6H,4H2,(H3,14,16,17).
What are the key properties of 2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine?
2-N-[(3,4-difluorophenyl)methyl]pyrazine-2,6-diamine has a molecular weight of 236.23 g/mol, XLogP of 1.95, 3 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]pyrazine-2,6-diamine is sourced from PubChem (CID 78988973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).