1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine

C11H15N5S — CID 63805670

IUPAC1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Sc1ncccn1
InChIInChI=1S/C11H15N5S/c1-8-9(7-12-2)10(16(3)15-8)17-11-13-5-4-6-14-11/h4-6,12H,7H2,1-3H3
InChIKeyBSOFXOXRKHOMDP-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.39
Rot. Bonds4

About 1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine

1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 63805670) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine
PubChem CID63805670
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1Sc1ncccn1
InChIInChI=1S/C11H15N5S/c1-8-9(7-12-2)10(16(3)15-8)17-11-13-5-4-6-14-11/h4-6,12H,7H2,1-3H3
InChIKeyBSOFXOXRKHOMDP-UHFFFAOYSA-N
XLogP1.39
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63808969
N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 63807050
1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
CID 106926425
N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 55239461
1-[5-(1H-benzimidazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63807021
N,1,3-trimethyl-4-(pyrimidin-2-ylsulfanylmethyl)pyrazol-5-amine
CID 62189467
1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 63809428
1-(1,3-dimethyl-5-pentylsulfanylpyrazol-4-yl)-N-methylmethanamine
CID 107761377
3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol
CID 66137324
1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine
CID 43282174
N-[(1,3-dimethyl-5-pyridin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 63804934
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 1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine (CID 63805670) is 1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine is CNCc1c(C)nn(C)c1Sc1ncccn1.
What is the InChIKey of 1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is BSOFXOXRKHOMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-8-9(7-12-2)10(16(3)15-8)17-11-13-5-4-6-14-11/h4-6,12H,7H2,1-3H3.
What are the key properties of 1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine?
1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 249.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 63805670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).