4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile

C9H9BrN4S — CID 47068542

IUPAC4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile
SMILESC=C(Br)CSc1nc(N)cc(N)c1C#N
InChIInChI=1S/C9H9BrN4S/c1-5(10)4-15-9-6(3-11)7(12)2-8(13)14-9/h2H,1,4H2,(H4,12,13,14)
InChIKeyYWOYSFZYRSVIOG-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.12
Rot. Bonds3

About 4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile

4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile (PubChem CID 47068542) has the molecular formula C9H9BrN4S and a molecular weight of 285.17 g/mol. Its IUPAC name is 4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile
PubChem CID47068542
Molecular FormulaC9H9BrN4S
Molecular Weight285.17 g/mol
Exact Mass283.97
IUPAC Name4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile
SMILESC=C(Br)CSc1nc(N)cc(N)c1C#N
InChIInChI=1S/C9H9BrN4S/c1-5(10)4-15-9-6(3-11)7(12)2-8(13)14-9/h2H,1,4H2,(H4,12,13,14)
InChIKeyYWOYSFZYRSVIOG-UHFFFAOYSA-N
XLogP2.12
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromoprop-2-enylsulfanyl)-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 52727902
methyl (2S)-2-[[2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]acetyl]amino]-4-methylpentanoate
CID 25388111
4,6-diamino-2-(2-methylpropyl)pyridine-3-carbonitrile
CID 66920870
(2R)-2-[(4,6-diamino-3-cyano-2-pyridinyl)sulfanyl]-N-(2,6-dimethylphenyl)propanamide
CID 41013541
2-[(6-amino-3,5-dicyano-4-ethyl-2-pyridinyl)sulfanyl]acetamide
CID 15269060
4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile
CID 155949579
2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 780926
2-(2-methylprop-2-enylsulfanyl)-6-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 681158
4,6-diamino-2-[2-(dimethylamino)propylamino]pyridine-3-carbonitrile
CID 21388964
2-prop-2-ynylsulfanylpyrimidine-4,6-diamine
CID 3704317
2-amino-4-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 689226
benzyl 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]acetate
CID 1076770

Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile (CID 47068542) is 4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile is C=C(Br)CSc1nc(N)cc(N)c1C#N.
What is the InChIKey of 4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is YWOYSFZYRSVIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S/c1-5(10)4-15-9-6(3-11)7(12)2-8(13)14-9/h2H,1,4H2,(H4,12,13,14).
What are the key properties of 4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile?
4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 285.17 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-(2-bromoprop-2-enylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 47068542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).