(1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine

C16H21FN4 — CID 99773597

IUPAC(1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCc1cnc(C)c(NC[C@@H](c2cccc(F)c2)N(C)C)n1
InChIInChI=1S/C16H21FN4/c1-11-9-18-12(2)16(20-11)19-10-15(21(3)4)13-6-5-7-14(17)8-13/h5-9,15H,10H2,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyJQMYNXXJBURUIR-HNNXBMFYSA-N
MW288.37 g/mol
LogP2.95
Rot. Bonds5

About (1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine

(1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 99773597) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is (1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID99773597
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name(1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
SMILESCc1cnc(C)c(NC[C@@H](c2cccc(F)c2)N(C)C)n1
InChIInChI=1S/C16H21FN4/c1-11-9-18-12(2)16(20-11)19-10-15(21(3)4)13-6-5-7-14(17)8-13/h5-9,15H,10H2,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyJQMYNXXJBURUIR-HNNXBMFYSA-N
XLogP2.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
CID 60634143
1-(3-fluorophenyl)-N'-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethylethane-1,2-diamine
CID 166186008
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine
CID 116907486
N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]cyclohexyl]acetamide
CID 119034333
1-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-3-fluorobenzene
CID 134035716
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87023429
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 51249056
6-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]amino]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 55346963
(2S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 125137805
2-benzyl-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1,1-dimethylguanidine
CID 111029394
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 47006077

Frequently Asked Questions

What is the IUPAC name of (1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of (1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine (CID 99773597) is (1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for (1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for (1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine is Cc1cnc(C)c(NC[C@@H](c2cccc(F)c2)N(C)C)n1.
What is the InChIKey of (1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is JQMYNXXJBURUIR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-11-9-18-12(2)16(20-11)19-10-15(21(3)4)13-6-5-7-14(17)8-13/h5-9,15H,10H2,1-4H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine?
(1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 288.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N'-(3,6-dimethylpyrazin-2-yl)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 99773597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).