1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide

C11H14N6OS — CID 80867917

IUPAC1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCCNc1cc(-n2cc(C(N)=O)cn2)nc(SC)n1
InChIInChI=1S/C11H14N6OS/c1-3-13-8-4-9(16-11(15-8)19-2)17-6-7(5-14-17)10(12)18/h4-6H,3H2,1-2H3,(H2,12,18)(H,13,15,16)
InChIKeyAWFIBLWSCQFSNP-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.91
Rot. Bonds5

About 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide

1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide (PubChem CID 80867917) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide
PubChem CID80867917
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCCNc1cc(-n2cc(C(N)=O)cn2)nc(SC)n1
InChIInChI=1S/C11H14N6OS/c1-3-13-8-4-9(16-11(15-8)19-2)17-6-7(5-14-17)10(12)18/h4-6H,3H2,1-2H3,(H2,12,18)(H,13,15,16)
InChIKeyAWFIBLWSCQFSNP-UHFFFAOYSA-N
XLogP0.91
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide (CID 80867917) is 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide is CCNc1cc(-n2cc(C(N)=O)cn2)nc(SC)n1.
What is the InChIKey of 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is AWFIBLWSCQFSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-3-13-8-4-9(16-11(15-8)19-2)17-6-7(5-14-17)10(12)18/h4-6H,3H2,1-2H3,(H2,12,18)(H,13,15,16).
What are the key properties of 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide?
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 80867917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).