N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide

C17H20N6OS — CID 122289638

IUPACN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)c1
InChIInChI=1S/C17H20N6OS/c1-11-6-14(25-9-11)17(24)19-5-4-18-15-8-16(21-10-20-15)23-13(3)7-12(2)22-23/h6-10H,4-5H2,1-3H3,(H,19,24)(H,18,20,21)
InChIKeyDLWFDWBGLMJAKO-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.49
Rot. Bonds6

About N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide (PubChem CID 122289638) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide
PubChem CID122289638
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)c1
InChIInChI=1S/C17H20N6OS/c1-11-6-14(25-9-11)17(24)19-5-4-18-15-8-16(21-10-20-15)23-13(3)7-12(2)22-23/h6-10H,4-5H2,1-3H3,(H,19,24)(H,18,20,21)
InChIKeyDLWFDWBGLMJAKO-UHFFFAOYSA-N
XLogP2.49
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3,5-dimethylbenzamide
CID 121072405
4-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 121072408
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
CID 56699991
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-propylthiadiazole-5-carboxamide
CID 122289575
4-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-2-carboxamide
CID 122293129
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(2-methoxyphenyl)acetamide
CID 122289648
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-pyrrol-1-ylacetamide
CID 122289698
2-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-methoxybenzamide
CID 122289690
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-4-methoxybenzamide
CID 122289664
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122289694
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 122289697
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(4-fluorophenoxy)acetamide
CID 122289605

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide (CID 122289638) is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCCNc2cc(-n3nc(C)cc3C)ncn2)c1.
What is the InChIKey of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is DLWFDWBGLMJAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-11-6-14(25-9-11)17(24)19-5-4-18-15-8-16(21-10-20-15)23-13(3)7-12(2)22-23/h6-10H,4-5H2,1-3H3,(H,19,24)(H,18,20,21).
What are the key properties of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide?
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 122289638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).