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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Related Compounds

5-amino-1-(pyrimidin-2-yl)-1H-pyrazole-4-carboxamide
CID 23400189
N-butan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414545
N-[2-(5-methylpyrazol-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 25914951
6-methyl-1-(pyrimidin-2-yl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 136004711
N-(1-fluoro-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 176158562
2-methylsulfanyl-N-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80840598
1-[5-Fluoro-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80868085
N-ethyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868144
2-Methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868237
1-[2-(Ethylamino)-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide
CID 80868512
N-methyl-2-methylsulfanyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868890
1-[5-Fluoro-2-(propylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80868918

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).