5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine

C14H19N3S — CID 54977767

IUPAC5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCc1cc(CNc2ccc(N(C)C)nc2)c(C)s1
InChIInChI=1S/C14H19N3S/c1-10-7-12(11(2)18-10)8-15-13-5-6-14(16-9-13)17(3)4/h5-7,9,15H,8H2,1-4H3
InChIKeyIREQQXPPHFXOEP-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.44
Rot. Bonds4

About 5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine

5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 54977767) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID54977767
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCc1cc(CNc2ccc(N(C)C)nc2)c(C)s1
InChIInChI=1S/C14H19N3S/c1-10-7-12(11(2)18-10)8-15-13-5-6-14(16-9-13)17(3)4/h5-7,9,15H,8H2,1-4H3
InChIKeyIREQQXPPHFXOEP-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 102832425
5-N-[(2,4-difluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43690440
3,4-dichloro-N-[(2,5-dimethylthiophen-3-yl)methyl]aniline
CID 63422661
N-[(2,5-dimethylthiophen-3-yl)methyl]pyrimidin-5-amine
CID 107587733
2-N,2-N-dimethyl-5-N-(thiadiazol-4-ylmethyl)pyridine-2,5-diamine
CID 43690649
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol
CID 112553810
N-[(2,5-dimethylthiophen-3-yl)methyl]-3,5-dimethylaniline
CID 54977763
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methylaniline
CID 63418316
2-N,2-N-dimethyl-5-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2,5-diamine
CID 115748558
4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 43690428
3-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-fluoroaniline
CID 54977814
5-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 61325554

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine (CID 54977767) is 5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine is Cc1cc(CNc2ccc(N(C)C)nc2)c(C)s1.
What is the InChIKey of 5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is IREQQXPPHFXOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-7-12(11(2)18-10)8-15-13-5-6-14(16-9-13)17(3)4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of 5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 261.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 54977767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).