6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine

C14H18N4OS — CID 102927005

IUPAC6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Sc2cc(C)cc(C)n2)nc(COC)n1
InChIInChI=1S/C14H18N4OS/c1-9-5-10(2)16-13(6-9)20-14-7-11(15-3)17-12(18-14)8-19-4/h5-7H,8H2,1-4H3,(H,15,17,18)
InChIKeyXKANLSJNBYOQGG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.83
Rot. Bonds5

About 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine

6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 102927005) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID102927005
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Sc2cc(C)cc(C)n2)nc(COC)n1
InChIInChI=1S/C14H18N4OS/c1-9-5-10(2)16-13(6-9)20-14-7-11(15-3)17-12(18-14)8-19-4/h5-7H,8H2,1-4H3,(H,15,17,18)
InChIKeyXKANLSJNBYOQGG-UHFFFAOYSA-N
XLogP2.83
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456558
[2-(methoxymethyl)-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine
CID 113402011
2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80653912
2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191609
4-N-(2-chloro-5-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638868
6-(2-methoxyethoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 82456721
2-(methoxymethyl)-N-methyl-6-phenylpyrimidin-4-amine
CID 62190343
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102927033
4-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149886
4-N-[2-(dimethylamino)ethyl]-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401298
2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 113401725
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 102927005) is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(Sc2cc(C)cc(C)n2)nc(COC)n1.
What is the InChIKey of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is XKANLSJNBYOQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-5-10(2)16-13(6-9)20-14-7-11(15-3)17-12(18-14)8-19-4/h5-7H,8H2,1-4H3,(H,15,17,18).
What are the key properties of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine?
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 290.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 102927005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).