N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine

C16H21FN4 — CID 107379672

IUPACN-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
SMILESCC(C)CNCc1cnc(N(C)c2cccc(F)c2)cn1
InChIInChI=1S/C16H21FN4/c1-12(2)8-18-9-14-10-20-16(11-19-14)21(3)15-6-4-5-13(17)7-15/h4-7,10-12,18H,8-9H2,1-3H3
InChIKeyIWEPIRYSBQFZSC-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.13
Rot. Bonds6

About N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine

N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine (PubChem CID 107379672) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
PubChem CID107379672
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC NameN-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
SMILESCC(C)CNCc1cnc(N(C)c2cccc(F)c2)cn1
InChIInChI=1S/C16H21FN4/c1-12(2)8-18-9-14-10-20-16(11-19-14)21(3)15-6-4-5-13(17)7-15/h4-7,10-12,18H,8-9H2,1-3H3
InChIKeyIWEPIRYSBQFZSC-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62292926
5-(chloromethyl)-N-(3-fluorophenyl)-N-methylpyrazin-2-amine
CID 107373450
N,N-dimethyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107378992
N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294691
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971234
N-benzyl-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107378891
N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767216
N-methyl-2-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
CID 62284741
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrazin-2-amine
CID 107380720
N-(3-fluorophenyl)-N-methyl-6-(methylaminomethyl)pyrazin-2-amine
CID 66449078
1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol
CID 83131802
N-(3-fluorophenyl)-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62295394

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine (CID 107379672) is N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine is CC(C)CNCc1cnc(N(C)c2cccc(F)c2)cn1.
What is the InChIKey of N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine?
The InChIKey is IWEPIRYSBQFZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-12(2)8-18-9-14-10-20-16(11-19-14)21(3)15-6-4-5-13(17)7-15/h4-7,10-12,18H,8-9H2,1-3H3.
What are the key properties of N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine?
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine has a molecular weight of 288.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine is sourced from PubChem (CID 107379672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).