[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine

C12H14N4S — CID 80650640

IUPAC[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine
SMILESCc1ccnc(Sc2ncc(CN)cc2C)n1
InChIInChI=1S/C12H14N4S/c1-8-5-10(6-13)7-15-11(8)17-12-14-4-3-9(2)16-12/h3-5,7H,6,13H2,1-2H3
InChIKeyDWMNAAABTPUXOB-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.10
Rot. Bonds3

About [5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine

[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine (PubChem CID 80650640) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is [5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine
PubChem CID80650640
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine
SMILESCc1ccnc(Sc2ncc(CN)cc2C)n1
InChIInChI=1S/C12H14N4S/c1-8-5-10(6-13)7-15-11(8)17-12-14-4-3-9(2)16-12/h3-5,7H,6,13H2,1-2H3
InChIKeyDWMNAAABTPUXOB-UHFFFAOYSA-N
XLogP2.10
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine with MolForge

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Related Compounds

2-methoxy-N-[[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80640543
[5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 80639950
[6-(3,4-difluorophenyl)sulfanyl-5-methyl-3-pyridinyl]methanamine
CID 80640130
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
CID 79734154
[6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-3-pyridinyl]methanamine
CID 80650767
5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile
CID 55053717
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-4-methylpyrimidine
CID 114870886
[4-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)phenyl]methanamine
CID 62267500
[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine
CID 80639286
2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62269446
2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80892419
4,5-bis[(4-methylpyrimidin-2-yl)sulfanyl]benzene-1,2-diol
CID 102477805

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine?
The IUPAC name of [5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine (CID 80650640) is [5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine.
What is the SMILES notation for [5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine?
The canonical SMILES for [5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine is Cc1ccnc(Sc2ncc(CN)cc2C)n1.
What is the InChIKey of [5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine?
The InChIKey is DWMNAAABTPUXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-8-5-10(6-13)7-15-11(8)17-12-14-4-3-9(2)16-12/h3-5,7H,6,13H2,1-2H3.
What are the key properties of [5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine?
[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine has a molecular weight of 246.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine is sourced from PubChem (CID 80650640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).