1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide

C13H14N6OS — CID 103331174

IUPAC1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide
SMILESCCCNc1nc(-n2ccc(C(N)=O)n2)c2ccsc2n1
InChIInChI=1S/C13H14N6OS/c1-2-5-15-13-16-11(8-4-7-21-12(8)17-13)19-6-3-9(18-19)10(14)20/h3-4,6-7H,2,5H2,1H3,(H2,14,20)(H,15,16,17)
InChIKeyPBXWASQVIFYBGF-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.80
Rot. Bonds5

About 1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide

1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide (PubChem CID 103331174) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide
PubChem CID103331174
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide
SMILESCCCNc1nc(-n2ccc(C(N)=O)n2)c2ccsc2n1
InChIInChI=1S/C13H14N6OS/c1-2-5-15-13-16-11(8-4-7-21-12(8)17-13)19-6-3-9(18-19)10(14)20/h3-4,6-7H,2,5H2,1H3,(H2,14,20)(H,15,16,17)
InChIKeyPBXWASQVIFYBGF-UHFFFAOYSA-N
XLogP1.80
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide
CID 103335990
2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159
2-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide
CID 114231528
1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
CID 80868762
1-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 103331176
3-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103330351
1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64782872
1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide
CID 104535988
N-propyl-4-(1,4-thiazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103325584
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide
CID 103322828
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258

Frequently Asked Questions

What is the IUPAC name of 1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide (CID 103331174) is 1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide is CCCNc1nc(-n2ccc(C(N)=O)n2)c2ccsc2n1.
What is the InChIKey of 1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is PBXWASQVIFYBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-2-5-15-13-16-11(8-4-7-21-12(8)17-13)19-6-3-9(18-19)10(14)20/h3-4,6-7H,2,5H2,1H3,(H2,14,20)(H,15,16,17).
What are the key properties of 1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide?
1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 103331174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).