N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine

C16H24N4S — CID 80640458

IUPACN-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Sc2ncc(CNCC(C)C)cc2C)n(C)n1
InChIInChI=1S/C16H24N4S/c1-11(2)8-17-9-14-6-12(3)16(18-10-14)21-15-7-13(4)19-20(15)5/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyLVCIEDOJBJZAEZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.33
Rot. Bonds6

About N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 80640458) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID80640458
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC NameN-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Sc2ncc(CNCC(C)C)cc2C)n(C)n1
InChIInChI=1S/C16H24N4S/c1-11(2)8-17-9-14-6-12(3)16(18-10-14)21-15-7-13(4)19-20(15)5/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyLVCIEDOJBJZAEZ-UHFFFAOYSA-N
XLogP3.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[(5-methyl-6-methylsulfanyl-3-pyridinyl)methyl]propan-1-amine
CID 80651160
2-methyl-N-[[5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 104604381
2-methyl-N-[[5-methyl-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 80639678
2-methyl-N-[[5-methyl-6-(2-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639314
N-[(6-butan-2-ylsulfanyl-5-methyl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 80639461
N-[[6-(4-chlorophenyl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 80628289
2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 80650679
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80651493
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80650909
N-[[5-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80640389
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 80640458) is N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1cc(Sc2ncc(CNCC(C)C)cc2C)n(C)n1.
What is the InChIKey of N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is LVCIEDOJBJZAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-11(2)8-17-9-14-6-12(3)16(18-10-14)21-15-7-13(4)19-20(15)5/h6-7,10-11,17H,8-9H2,1-5H3.
What are the key properties of N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 80640458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).