N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine

C14H16FN3 — CID 83062801

IUPACN-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine
SMILESCc1cc(CNc2nccnc2C)cc(C)c1F
InChIInChI=1S/C14H16FN3/c1-9-6-12(7-10(2)13(9)15)8-18-14-11(3)16-4-5-17-14/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeySNRNMOFZPPAOHN-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.15
Rot. Bonds3

About N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine

N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine (PubChem CID 83062801) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine
PubChem CID83062801
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine
SMILESCc1cc(CNc2nccnc2C)cc(C)c1F
InChIInChI=1S/C14H16FN3/c1-9-6-12(7-10(2)13(9)15)8-18-14-11(3)16-4-5-17-14/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeySNRNMOFZPPAOHN-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104731881
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385715
4-[[(3-methylpyrazin-2-yl)amino]methyl]phenol
CID 114332604
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazin-2-amine
CID 83064247
3-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 83065242
5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136976407
3-[(4-fluoro-3,5-dimethylphenyl)methylamino]pyridazine-4-carboxylic acid
CID 80517089
N-[(4-fluoro-3,5-dimethylphenyl)methyl]quinazolin-2-amine
CID 114789197
4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80852205
2-[(4-fluoro-3,5-dimethylphenyl)methylamino]-4-methylpyrimidine-5-carboxylic acid
CID 83180580
5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine
CID 104535355

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine (CID 83062801) is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine is Cc1cc(CNc2nccnc2C)cc(C)c1F.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine?
The InChIKey is SNRNMOFZPPAOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9-6-12(7-10(2)13(9)15)8-18-14-11(3)16-4-5-17-14/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine?
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine has a molecular weight of 245.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine is sourced from PubChem (CID 83062801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).