4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

C15H17N5S — CID 133342026

IUPAC4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCn1cc(CC2CCN(c3ncnc4sccc34)C2)cn1
InChIInChI=1S/C15H17N5S/c1-19-8-12(7-18-19)6-11-2-4-20(9-11)14-13-3-5-21-15(13)17-10-16-14/h3,5,7-8,10-11H,2,4,6,9H2,1H3
InChIKeyKSOMIKOMWOMRRO-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.49
Rot. Bonds3

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

4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133342026) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133342026
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCn1cc(CC2CCN(c3ncnc4sccc34)C2)cn1
InChIInChI=1S/C15H17N5S/c1-19-8-12(7-18-19)6-11-2-4-20(9-11)14-13-3-5-21-15(13)17-10-16-14/h3,5,7-8,10-11H,2,4,6,9H2,1H3
InChIKeyKSOMIKOMWOMRRO-UHFFFAOYSA-N
XLogP2.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (CID 133342026) is 4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is Cn1cc(CC2CCN(c3ncnc4sccc34)C2)cn1.
What is the InChIKey of 4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is KSOMIKOMWOMRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-19-8-12(7-18-19)6-11-2-4-20(9-11)14-13-3-5-21-15(13)17-10-16-14/h3,5,7-8,10-11H,2,4,6,9H2,1H3.
What are the key properties of 4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 299.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133342026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).