4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

C16H19N5S — CID 56778089

IUPAC4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nn(C)c(C)c1C1CCCN1c1ncnc2sccc12
InChIInChI=1S/C16H19N5S/c1-10-14(11(2)20(3)19-10)13-5-4-7-21(13)15-12-6-8-22-16(12)18-9-17-15/h6,8-9,13H,4-5,7H2,1-3H3
InChIKeyBNIQHNAWAXYESP-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.38
Rot. Bonds2

About 4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 56778089) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID56778089
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nn(C)c(C)c1C1CCCN1c1ncnc2sccc12
InChIInChI=1S/C16H19N5S/c1-10-14(11(2)20(3)19-10)13-5-4-7-21(13)15-12-6-8-22-16(12)18-9-17-15/h6,8-9,13H,4-5,7H2,1-3H3
InChIKeyBNIQHNAWAXYESP-UHFFFAOYSA-N
XLogP3.38
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95764357
4-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95764356
4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 7838265
4-[(5aR,9aS)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepin-1-yl]thieno[2,3-d]pyrimidine
CID 97255565
9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine
CID 124735733
4-[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine
CID 71933046
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
CID 62591385
4-[2-(3-chloropropyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390203
(2S)-N-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 94207481
4-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95341463
4-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 139005528
5-bromo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 75420221

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (CID 56778089) is 4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is Cc1nn(C)c(C)c1C1CCCN1c1ncnc2sccc12.
What is the InChIKey of 4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is BNIQHNAWAXYESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-10-14(11(2)20(3)19-10)13-5-4-7-21(13)15-12-6-8-22-16(12)18-9-17-15/h6,8-9,13H,4-5,7H2,1-3H3.
What are the key properties of 4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 313.43 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 56778089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).