2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine

C14H19N3S — CID 113367648

IUPAC2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine
SMILESCCCC(Nc1ccnc(NC)c1)c1cccs1
InChIInChI=1S/C14H19N3S/c1-3-5-12(13-6-4-9-18-13)17-11-7-8-16-14(10-11)15-2/h4,6-10,12H,3,5H2,1-2H3,(H2,15,16,17)
InChIKeyKNOKGBOCUMGKSQ-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.14
Rot. Bonds6

About 2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine

2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine (PubChem CID 113367648) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine
PubChem CID113367648
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine
SMILESCCCC(Nc1ccnc(NC)c1)c1cccs1
InChIInChI=1S/C14H19N3S/c1-3-5-12(13-6-4-9-18-13)17-11-7-8-16-14(10-11)15-2/h4,6-10,12H,3,5H2,1-2H3,(H2,15,16,17)
InChIKeyKNOKGBOCUMGKSQ-UHFFFAOYSA-N
XLogP4.14
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807159
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
3,5-dichloro-2-N-methyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 102757081
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
3-ethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 65276998
3-bromo-N-(1-thiophen-2-ylbutyl)pyridin-4-amine
CID 104776938
2-methyl-4-(1-thiophen-2-ylbutylamino)benzoic acid
CID 81282435
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807804
2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 80807390
1-cyclopropyl-N-(1-thiophen-2-ylbutyl)imidazol-2-amine
CID 106565317
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
6-ethoxy-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 63588984

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine (CID 113367648) is 2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine is CCCC(Nc1ccnc(NC)c1)c1cccs1.
What is the InChIKey of 2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine?
The InChIKey is KNOKGBOCUMGKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-5-12(13-6-4-9-18-13)17-11-7-8-16-14(10-11)15-2/h4,6-10,12H,3,5H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine?
2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine has a molecular weight of 261.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine is sourced from PubChem (CID 113367648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).