6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

C16H19N5S — CID 166271387

IUPAC6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC(c4ccn[nH]4)C3)nc(C)nc2s1
InChIInChI=1S/C16H19N5S/c1-3-12-8-13-15(18-10(2)19-16(13)22-12)21-7-5-11(9-21)14-4-6-17-20-14/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,17,20)
InChIKeyVINACIILCXYMLW-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.28
Rot. Bonds3

About 6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 166271387) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID166271387
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCC(c4ccn[nH]4)C3)nc(C)nc2s1
InChIInChI=1S/C16H19N5S/c1-3-12-8-13-15(18-10(2)19-16(13)22-12)21-7-5-11(9-21)14-4-6-17-20-14/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,17,20)
InChIKeyVINACIILCXYMLW-UHFFFAOYSA-N
XLogP3.28
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (CID 166271387) is 6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCC(c4ccn[nH]4)C3)nc(C)nc2s1.
What is the InChIKey of 6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is VINACIILCXYMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-3-12-8-13-15(18-10(2)19-16(13)22-12)21-7-5-11(9-21)14-4-6-17-20-14/h4,6,8,11H,3,5,7,9H2,1-2H3,(H,17,20).
What are the key properties of 6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 313.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 166271387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).