2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C15H20ClN3OS — CID 63402501

IUPAC2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCN(Cc1ccc(Cl)s1)c1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C15H20ClN3OS/c1-15(2,3)20-14-11(17)6-8-13(18-14)19(4)9-10-5-7-12(16)21-10/h5-8H,9,17H2,1-4H3
InChIKeyMUXFLGBDPGYNRJ-UHFFFAOYSA-N
MW325.87 g/mol
LogP4.19
Rot. Bonds4

About 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 63402501) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID63402501
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCN(Cc1ccc(Cl)s1)c1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C15H20ClN3OS/c1-15(2,3)20-14-11(17)6-8-13(18-14)19(4)9-10-5-7-12(16)21-10/h5-8H,9,17H2,1-4H3
InChIKeyMUXFLGBDPGYNRJ-UHFFFAOYSA-N
XLogP4.19
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine with MolForge

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Related Compounds

6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 63586888
3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid
CID 61439995
2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
CID 61242801
4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80799386
2-N-[(5-chlorothiophen-2-yl)methyl]-6-N-ethyl-2-N-methylpyrazine-2,6-diamine
CID 78918157
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715602
2-N-methyl-6-propan-2-yloxy-2-N-(thiophen-2-ylmethyl)pyridine-2,5-diamine
CID 43527353
6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 61442067
4-amino-3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoic acid
CID 82786044
5-N-[(5-chlorothiophen-2-yl)methyl]-5-N-methylpyridine-3,5-diamine
CID 104533337
2-N-butyl-2-N-cyclopropyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
CID 63402583
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 63402501) is 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is CN(Cc1ccc(Cl)s1)c1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is MUXFLGBDPGYNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-15(2,3)20-14-11(17)6-8-13(18-14)19(4)9-10-5-7-12(16)21-10/h5-8H,9,17H2,1-4H3.
What are the key properties of 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 325.87 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 63402501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).