[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine

C13H16N4S — CID 113321430

IUPAC[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine
SMILESCc1nc(Sc2ccc(CN)nc2)nc(C)c1C
InChIInChI=1S/C13H16N4S/c1-8-9(2)16-13(17-10(8)3)18-12-5-4-11(6-14)15-7-12/h4-5,7H,6,14H2,1-3H3
InChIKeyGEZDPORDJVEAGC-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.41
Rot. Bonds3

About [5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine

[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine (PubChem CID 113321430) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is [5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine
PubChem CID113321430
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine
SMILESCc1nc(Sc2ccc(CN)nc2)nc(C)c1C
InChIInChI=1S/C13H16N4S/c1-8-9(2)16-13(17-10(8)3)18-12-5-4-11(6-14)15-7-12/h4-5,7H,6,14H2,1-3H3
InChIKeyGEZDPORDJVEAGC-UHFFFAOYSA-N
XLogP2.41
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-pyridinyl]methanamine
CID 106923770
1-[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]ethanone
CID 83119888
2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine
CID 80644157
[5-(2-methylbutylsulfanyl)-2-pyridinyl]methanamine
CID 107752068
2-ethoxy-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylaniline
CID 65039120
[5-[(3,5-dimethylphenyl)methylsulfanyl]-2-pyridinyl]methanamine
CID 113321432
[2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 65041393
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586531
[5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine
CID 115490313
(5-quinazolin-4-ylsulfanyl-2-pyridinyl)methanamine
CID 115490289
2-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzonitrile
CID 81282201
(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485

Frequently Asked Questions

What is the IUPAC name of [5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine?
The IUPAC name of [5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine (CID 113321430) is [5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine?
The canonical SMILES for [5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine is Cc1nc(Sc2ccc(CN)nc2)nc(C)c1C.
What is the InChIKey of [5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine?
The InChIKey is GEZDPORDJVEAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-8-9(2)16-13(17-10(8)3)18-12-5-4-11(6-14)15-7-12/h4-5,7H,6,14H2,1-3H3.
What are the key properties of [5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine?
[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine has a molecular weight of 260.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine is sourced from PubChem (CID 113321430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).