N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine

C17H18FN5 — CID 166361250

IUPACN-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN(C)Cc1cc(CNc2nccc3nccnc23)ccc1F
InChIInChI=1S/C17H18FN5/c1-23(2)11-13-9-12(3-4-14(13)18)10-22-17-16-15(5-6-21-17)19-7-8-20-16/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyYQBIOSBPTUVBJB-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.84
Rot. Bonds5

About N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine

N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 166361250) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID166361250
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC NameN-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCN(C)Cc1cc(CNc2nccc3nccnc23)ccc1F
InChIInChI=1S/C17H18FN5/c1-23(2)11-13-9-12(3-4-14(13)18)10-22-17-16-15(5-6-21-17)19-7-8-20-16/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKeyYQBIOSBPTUVBJB-UHFFFAOYSA-N
XLogP2.84
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
CID 133314883
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111414845
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133314889
3-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 133314857
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107454402
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-5-methylquinazolin-4-amine
CID 133411366
1-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-(2-hydroxyethyl)urea
CID 111412022
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133314842
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 107454398
1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
CID 107454369
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133411326

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 166361250) is N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine is CN(C)Cc1cc(CNc2nccc3nccnc23)ccc1F.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is YQBIOSBPTUVBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-23(2)11-13-9-12(3-4-14(13)18)10-22-17-16-15(5-6-21-17)19-7-8-20-16/h3-9H,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine?
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 311.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 166361250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).