N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine

C13H19N5OS — CID 63807050

IUPACN-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(C)c1Sc1ncccn1
InChIInChI=1S/C13H19N5OS/c1-10-11(9-14-7-8-19-3)12(18(2)17-10)20-13-15-5-4-6-16-13/h4-6,14H,7-9H2,1-3H3
InChIKeyMQUJISKFZIRBOQ-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.41
Rot. Bonds7

About N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine

N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine (PubChem CID 63807050) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
PubChem CID63807050
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(C)c1Sc1ncccn1
InChIInChI=1S/C13H19N5OS/c1-10-11(9-14-7-8-19-3)12(18(2)17-10)20-13-15-5-4-6-16-13/h4-6,14H,7-9H2,1-3H3
InChIKeyMQUJISKFZIRBOQ-UHFFFAOYSA-N
XLogP1.41
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 63804934
N-[[1,3-dimethyl-5-(1-methylimidazol-2-yl)sulfanylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63806969
1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine
CID 63805670
N-[[5-(2-chlorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63804911
2-methoxy-N-[[5-(3-methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63856362
N-[[1,3-dimethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 115383862
3-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol
CID 66137994
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
N-[[5-(cyclopentylmethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63812715
N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 55239461
N-[(2-chloro-6-pyrimidin-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63804632
N-[[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 63807556

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine (CID 63807050) is N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine is COCCNCc1c(C)nn(C)c1Sc1ncccn1.
What is the InChIKey of N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine?
The InChIKey is MQUJISKFZIRBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-10-11(9-14-7-8-19-3)12(18(2)17-10)20-13-15-5-4-6-16-13/h4-6,14H,7-9H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine?
N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine has a molecular weight of 293.40 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 63807050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).