6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine

C16H21N3OS — CID 65246368

IUPAC6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine
SMILESCc1cc(CNc2ccc(N)c(OCC3CC3)n2)sc1C
InChIInChI=1S/C16H21N3OS/c1-10-7-13(21-11(10)2)8-18-15-6-5-14(17)16(19-15)20-9-12-3-4-12/h5-7,12H,3-4,8-9,17H2,1-2H3,(H,18,19)
InChIKeyXWDZUBMJYWMPLM-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.74
Rot. Bonds6

About 6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine

6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine (PubChem CID 65246368) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine
PubChem CID65246368
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine
SMILESCc1cc(CNc2ccc(N)c(OCC3CC3)n2)sc1C
InChIInChI=1S/C16H21N3OS/c1-10-7-13(21-11(10)2)8-18-15-6-5-14(17)16(19-15)20-9-12-3-4-12/h5-7,12H,3-4,8-9,17H2,1-2H3,(H,18,19)
InChIKeyXWDZUBMJYWMPLM-UHFFFAOYSA-N
XLogP3.74
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine (CID 65246368) is 6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine is Cc1cc(CNc2ccc(N)c(OCC3CC3)n2)sc1C.
What is the InChIKey of 6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine?
The InChIKey is XWDZUBMJYWMPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10-7-13(21-11(10)2)8-18-15-6-5-14(17)16(19-15)20-9-12-3-4-12/h5-7,12H,3-4,8-9,17H2,1-2H3,(H,18,19).
What are the key properties of 6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine?
6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine has a molecular weight of 303.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 65246368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).