(1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

C12H15ClN4O — CID 95243026

IUPAC(1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)[C@@H](CNc1cncc(Cl)n1)c1ccco1
InChIInChI=1S/C12H15ClN4O/c1-17(2)9(10-4-3-5-18-10)6-15-12-8-14-7-11(13)16-12/h3-5,7-9H,6H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyWKPBQCKRLWGUSA-VIFPVBQESA-N
MW266.73 g/mol
LogP2.44
Rot. Bonds5

About (1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

(1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 95243026) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is (1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID95243026
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name(1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)[C@@H](CNc1cncc(Cl)n1)c1ccco1
InChIInChI=1S/C12H15ClN4O/c1-17(2)9(10-4-3-5-18-10)6-15-12-8-14-7-11(13)16-12/h3-5,7-9H,6H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyWKPBQCKRLWGUSA-VIFPVBQESA-N
XLogP2.44
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine with MolForge

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Related Compounds

(1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 51969104
(1S)-1-(furan-2-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 97351936
3-chloro-5-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-1,2-thiazole-4-carbonitrile
CID 56804303
N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 61323901
2-N,4-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinazoline-2,4-diamine
CID 56584916
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
3,6-dichloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 112502933
3-[(6-chloropyrazin-2-yl)amino]-2-methylpropanenitrile
CID 130635068
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-(pyridin-4-ylmethylamino)cyclobut-3-ene-1,2-dione
CID 53369285
2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]acetic acid
CID 83380917
N'-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 60789165

Frequently Asked Questions

What is the IUPAC name of (1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of (1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 95243026) is (1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for (1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for (1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is CN(C)[C@@H](CNc1cncc(Cl)n1)c1ccco1.
What is the InChIKey of (1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is WKPBQCKRLWGUSA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-17(2)9(10-4-3-5-18-10)6-15-12-8-14-7-11(13)16-12/h3-5,7-9H,6H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
(1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 266.73 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N'-(6-chloropyrazin-2-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 95243026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).