2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine

C14H19N3OS — CID 43784242

IUPAC2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine
SMILESCSCc1ccc(CNc2cccnc2N(C)C)o1
InChIInChI=1S/C14H19N3OS/c1-17(2)14-13(5-4-8-15-14)16-9-11-6-7-12(18-11)10-19-3/h4-8,16H,9-10H2,1-3H3
InChIKeyVEKYQKLGFGZMKR-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.22
Rot. Bonds6

About 2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine

2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine (PubChem CID 43784242) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine
PubChem CID43784242
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine
SMILESCSCc1ccc(CNc2cccnc2N(C)C)o1
InChIInChI=1S/C14H19N3OS/c1-17(2)14-13(5-4-8-15-14)16-9-11-6-7-12(18-11)10-19-3/h4-8,16H,9-10H2,1-3H3
InChIKeyVEKYQKLGFGZMKR-UHFFFAOYSA-N
XLogP3.22
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine?
The IUPAC name of 2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine (CID 43784242) is 2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine is CSCc1ccc(CNc2cccnc2N(C)C)o1.
What is the InChIKey of 2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine?
The InChIKey is VEKYQKLGFGZMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-17(2)14-13(5-4-8-15-14)16-9-11-6-7-12(18-11)10-19-3/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine?
2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine has a molecular weight of 277.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-3-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]pyridine-2,3-diamine is sourced from PubChem (CID 43784242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).