1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide

C13H14N6OS — CID 103331164

IUPAC1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCCNc1nc(-n2cc(C(N)=O)cn2)c2cc(C)sc2n1
InChIInChI=1S/C13H14N6OS/c1-3-15-13-17-11(9-4-7(2)21-12(9)18-13)19-6-8(5-16-19)10(14)20/h4-6H,3H2,1-2H3,(H2,14,20)(H,15,17,18)
InChIKeyUXIHJJIHFWMZKU-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.72
Rot. Bonds4

About 1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide

1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide (PubChem CID 103331164) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide
PubChem CID103331164
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCCNc1nc(-n2cc(C(N)=O)cn2)c2cc(C)sc2n1
InChIInChI=1S/C13H14N6OS/c1-3-15-13-17-11(9-4-7(2)21-12(9)18-13)19-6-8(5-16-19)10(14)20/h4-6H,3H2,1-2H3,(H2,14,20)(H,15,17,18)
InChIKeyUXIHJJIHFWMZKU-UHFFFAOYSA-N
XLogP1.72
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103330991
1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxamide
CID 103335986
4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331008
4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103323872
4-(4-chloropyrazol-1-yl)-N,6-diethylthieno[2,3-d]pyrimidin-2-amine
CID 103331015
4-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103325302
4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331139
4-(2,4-dimethylpyrrolidin-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103330576
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80868430
1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80868515
1-[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrazole-4-carboxamide
CID 80988659
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylic acid
CID 63617897

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide (CID 103331164) is 1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide is CCNc1nc(-n2cc(C(N)=O)cn2)c2cc(C)sc2n1.
What is the InChIKey of 1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is UXIHJJIHFWMZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-3-15-13-17-11(9-4-7(2)21-12(9)18-13)19-6-8(5-16-19)10(14)20/h4-6H,3H2,1-2H3,(H2,14,20)(H,15,17,18).
What are the key properties of 1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide?
1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 103331164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).