5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine

C12H18F2N4 — CID 174276108

IUPAC5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine
SMILESCN(c1cnc(CN)cn1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N4/c1-18(10-2-4-12(13,14)5-3-10)11-8-16-9(6-15)7-17-11/h7-8,10H,2-6,15H2,1H3
InChIKeyDXKMOKVYNIFDDR-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.95
Rot. Bonds3

About 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine

5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine (PubChem CID 174276108) has the molecular formula C12H18F2N4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine
PubChem CID174276108
Molecular FormulaC12H18F2N4
Molecular Weight256.30 g/mol
Exact Mass256.15
IUPAC Name5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine
SMILESCN(c1cnc(CN)cn1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N4/c1-18(10-2-4-12(13,14)5-3-10)11-8-16-9(6-15)7-17-11/h7-8,10H,2-6,15H2,1H3
InChIKeyDXKMOKVYNIFDDR-UHFFFAOYSA-N
XLogP1.95
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine (CID 174276108) is 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine is CN(c1cnc(CN)cn1)C1CCC(F)(F)CC1.
What is the InChIKey of 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine?
The InChIKey is DXKMOKVYNIFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4/c1-18(10-2-4-12(13,14)5-3-10)11-8-16-9(6-15)7-17-11/h7-8,10H,2-6,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine?
5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine has a molecular weight of 256.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4,4-difluorocyclohexyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 174276108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).