6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine

C14H19N3S — CID 80817701

IUPAC6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCc2ccc(C)s2)n1
InChIInChI=1S/C14H19N3S/c1-3-9-15-13-5-4-6-14(17-13)16-10-12-8-7-11(2)18-12/h4-8H,3,9-10H2,1-2H3,(H2,15,16,17)
InChIKeyHQVVGAPMXCVFQS-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.89
Rot. Bonds6

About 6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine

6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 80817701) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
PubChem CID80817701
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCc2ccc(C)s2)n1
InChIInChI=1S/C14H19N3S/c1-3-9-15-13-5-4-6-14(17-13)16-10-12-8-7-11(2)18-12/h4-8H,3,9-10H2,1-2H3,(H2,15,16,17)
InChIKeyHQVVGAPMXCVFQS-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(5-ethylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106015208
2-cyclopropyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80967847
4-N-[(5-methylthiophen-2-yl)methyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967416
6-[(5-methylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64596062
N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 60962238
5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80818447
6-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106378770
6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine
CID 79825619
2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
CID 78988898
4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine
CID 80818112
6-N-ethyl-2-methylsulfanyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80818024

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine (CID 80817701) is 6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NCc2ccc(C)s2)n1.
What is the InChIKey of 6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is HQVVGAPMXCVFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-9-15-13-5-4-6-14(17-13)16-10-12-8-7-11(2)18-12/h4-8H,3,9-10H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine?
6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 261.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-methylthiophen-2-yl)methyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80817701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).