5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine

C12H18N2OS — CID 107296752

IUPAC5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine
SMILESCOc1cnc(C)cc1NCC1CCSC1
InChIInChI=1S/C12H18N2OS/c1-9-5-11(12(15-2)7-13-9)14-6-10-3-4-16-8-10/h5,7,10H,3-4,6,8H2,1-2H3,(H,13,14)
InChIKeyYVUIHFRQDAAKJK-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.56
Rot. Bonds4

About 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine

5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine (PubChem CID 107296752) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine
PubChem CID107296752
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine
SMILESCOc1cnc(C)cc1NCC1CCSC1
InChIInChI=1S/C12H18N2OS/c1-9-5-11(12(15-2)7-13-9)14-6-10-3-4-16-8-10/h5,7,10H,3-4,6,8H2,1-2H3,(H,13,14)
InChIKeyYVUIHFRQDAAKJK-UHFFFAOYSA-N
XLogP2.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660273
5-methoxy-2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine
CID 106660339
3,4,5-trimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131142
N-(2-cyclohexylethyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660313
3,4-dimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131165
2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine
CID 107294982
4-chloro-3-methoxy-N-(thiolan-3-ylmethyl)aniline
CID 107268141
3-bromo-4-methoxy-N-(thiolan-3-ylmethyl)aniline
CID 107132181
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 107389540
5-methoxy-2-methyl-N-prop-2-ynylpyridin-4-amine
CID 106660453
2,4-dimethyl-N-(thiolan-3-ylmethyl)aniline
CID 107131111
N-(1-cyclopropylpropan-2-yl)-5-methoxy-2-methylpyridin-4-amine
CID 106660524

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine?
The IUPAC name of 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine (CID 107296752) is 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine?
The canonical SMILES for 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine is COc1cnc(C)cc1NCC1CCSC1.
What is the InChIKey of 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine?
The InChIKey is YVUIHFRQDAAKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-5-11(12(15-2)7-13-9)14-6-10-3-4-16-8-10/h5,7,10H,3-4,6,8H2,1-2H3,(H,13,14).
What are the key properties of 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine?
5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine has a molecular weight of 238.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-(thiolan-3-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 107296752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).