[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine

C15H21N5S — CID 80515431

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine
SMILESCCc1nnc(Sc2nc(C)cc(C)n2)c(CN)c1CC
InChIInChI=1S/C15H21N5S/c1-5-11-12(8-16)14(20-19-13(11)6-2)21-15-17-9(3)7-10(4)18-15/h7H,5-6,8,16H2,1-4H3
InChIKeyPUBFTUGAQCJXSH-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.62
Rot. Bonds5

About [3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine

[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine (PubChem CID 80515431) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine
PubChem CID80515431
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine
SMILESCCc1nnc(Sc2nc(C)cc(C)n2)c(CN)c1CC
InChIInChI=1S/C15H21N5S/c1-5-11-12(8-16)14(20-19-13(11)6-2)21-15-17-9(3)7-10(4)18-15/h7H,5-6,8,16H2,1-4H3
InChIKeyPUBFTUGAQCJXSH-UHFFFAOYSA-N
XLogP2.62
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine (CID 80515431) is [3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine is CCc1nnc(Sc2nc(C)cc(C)n2)c(CN)c1CC.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine?
The InChIKey is PUBFTUGAQCJXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-5-11-12(8-16)14(20-19-13(11)6-2)21-15-17-9(3)7-10(4)18-15/h7H,5-6,8,16H2,1-4H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine?
[3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine has a molecular weight of 303.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-diethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 80515431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).