4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine

C11H16N6S — CID 106106836

IUPAC4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C11H16N6S/c1-17-6-4-8(16-17)3-5-13-10-7-9(12)14-11(15-10)18-2/h4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15)
InChIKeyIDHMXQCNFNGNFA-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.17
Rot. Bonds5

About 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine

4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 106106836) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID106106836
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NCCc2ccn(C)n2)n1
InChIInChI=1S/C11H16N6S/c1-17-6-4-8(16-17)3-5-13-10-7-9(12)14-11(15-10)18-2/h4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15)
InChIKeyIDHMXQCNFNGNFA-UHFFFAOYSA-N
XLogP1.17
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106106929
2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106755
2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2,6-diamine
CID 104626530
6-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106106717
4-N-(1-methylpyrazol-3-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80849539
4-N-[2-(4-fluorophenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80785928
4-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 106106748
2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80808551
2-N-ethyl-6-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106106856
6-hydrazinyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 106106888
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80852616
6-N-ethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 106106860

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine (CID 106106836) is 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(NCCc2ccn(C)n2)n1.
What is the InChIKey of 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is IDHMXQCNFNGNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-17-6-4-8(16-17)3-5-13-10-7-9(12)14-11(15-10)18-2/h4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 264.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 106106836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).