N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine

C11H15N5OS — CID 81341322

IUPACN-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(C)[nH]n2)nc(SC)n1
InChIInChI=1S/C11H15N5OS/c1-4-12-8-6-9(14-11(13-8)18-3)17-10-5-7(2)15-16-10/h5-6H,4H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyNVCRZTCJSCQZQB-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.45
Rot. Bonds5

About N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine

N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 81341322) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine
PubChem CID81341322
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Oc2cc(C)[nH]n2)nc(SC)n1
InChIInChI=1S/C11H15N5OS/c1-4-12-8-6-9(14-11(13-8)18-3)17-10-5-7(2)15-16-10/h5-6H,4H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyNVCRZTCJSCQZQB-UHFFFAOYSA-N
XLogP2.45
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine (CID 81341322) is N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(Oc2cc(C)[nH]n2)nc(SC)n1.
What is the InChIKey of N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is NVCRZTCJSCQZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-4-12-8-6-9(14-11(13-8)18-3)17-10-5-7(2)15-16-10/h5-6H,4H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine?
N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 265.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 81341322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).