(2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone

C12H16N2OS2 — CID 115385716

IUPAC(2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone
SMILESCc1ccnc(N)c1C(=O)C1SCCSC1C
InChIInChI=1S/C12H16N2OS2/c1-7-3-4-14-12(13)9(7)10(15)11-8(2)16-5-6-17-11/h3-4,8,11H,5-6H2,1-2H3,(H2,13,14)
InChIKeyUWEWYZHGLFYAPR-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.39
Rot. Bonds2

About (2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone

(2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone (PubChem CID 115385716) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is (2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone
PubChem CID115385716
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC Name(2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone
SMILESCc1ccnc(N)c1C(=O)C1SCCSC1C
InChIInChI=1S/C12H16N2OS2/c1-7-3-4-14-12(13)9(7)10(15)11-8(2)16-5-6-17-11/h3-4,8,11H,5-6H2,1-2H3,(H2,13,14)
InChIKeyUWEWYZHGLFYAPR-UHFFFAOYSA-N
XLogP2.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-methyl-3-pyridinyl)-(2,2-dimethylcyclopropyl)methanone
CID 107925467
(2-amino-4-methyl-3-pyridinyl)-(1,1-dioxothiolan-3-yl)methanone
CID 115336278
(2-amino-4-methyl-3-pyridinyl)-(4-methylmorpholin-2-yl)methanone
CID 79077803
3-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-cyclopropylpropan-1-one
CID 116608700
(2-fluoro-5-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 115385709
(2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
CID 79074631
(2-amino-4-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103449954
1-(2-amino-4-methyl-3-pyridinyl)-2-hydroxy-2-methylbutan-1-one
CID 103446715
(2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone
CID 116750801
2-amino-4-methylpyridine-3-carbonitrile;2-amino-4-methylpyridine-3-carboxylic acid
CID 161035113
3-amino-1-(2-amino-4-methyl-3-pyridinyl)pentan-1-one
CID 116608992
2-amino-1-(2-amino-4-methyl-3-pyridinyl)-3-methoxypropan-1-one
CID 116593978

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone?
The IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone (CID 115385716) is (2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone.
What is the SMILES notation for (2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone?
The canonical SMILES for (2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone is Cc1ccnc(N)c1C(=O)C1SCCSC1C.
What is the InChIKey of (2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone?
The InChIKey is UWEWYZHGLFYAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-7-3-4-14-12(13)9(7)10(15)11-8(2)16-5-6-17-11/h3-4,8,11H,5-6H2,1-2H3,(H2,13,14).
What are the key properties of (2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone?
(2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone has a molecular weight of 268.41 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-3-pyridinyl)-(3-methyl-1,4-dithian-2-yl)methanone is sourced from PubChem (CID 115385716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).