N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine

C13H19N5S — CID 55239461

IUPACN-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Sc1ncc(C)cn1
InChIInChI=1S/C13H19N5S/c1-5-14-8-11-10(3)17-18(4)12(11)19-13-15-6-9(2)7-16-13/h6-7,14H,5,8H2,1-4H3
InChIKeyKMHZZIMLUARQOC-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.09
Rot. Bonds5

About N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine

N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine (PubChem CID 55239461) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
PubChem CID55239461
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1Sc1ncc(C)cn1
InChIInChI=1S/C13H19N5S/c1-5-14-8-11-10(3)17-18(4)12(11)19-13-15-6-9(2)7-16-13/h6-7,14H,5,8H2,1-4H3
InChIKeyKMHZZIMLUARQOC-UHFFFAOYSA-N
XLogP2.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1,3-dimethyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
CID 106926566
1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazole-4-carbaldehyde
CID 63803760
1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine
CID 63805670
N-[[1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 107783199
N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]ethanamine
CID 63809837
N-[(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 63807050
N-[[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 63807556
N-[[1,3-dimethyl-5-(4-nitrophenyl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 63809238
N-[[1,3-dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-yl]methyl]ethanamine
CID 63814686
N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239647
methyl 3-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]sulfanylpropanoate
CID 55238491
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63808969

Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine (CID 55239461) is N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1Sc1ncc(C)cn1.
What is the InChIKey of N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is KMHZZIMLUARQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-5-14-8-11-10(3)17-18(4)12(11)19-13-15-6-9(2)7-16-13/h6-7,14H,5,8H2,1-4H3.
What are the key properties of N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine?
N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 277.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 55239461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).