4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

C18H25N5OS — CID 71654913

IUPAC4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2ncnc(N3CCC(CCN4CCCC4)CC3)c2s1
InChIInChI=1S/C18H25N5OS/c19-17(24)15-11-14-16(25-15)18(21-12-20-14)23-9-4-13(5-10-23)3-8-22-6-1-2-7-22/h11-13H,1-10H2,(H2,19,24)
InChIKeyQQSPATQSWSHBGK-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.49
Rot. Bonds5

About 4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71654913) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID71654913
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2ncnc(N3CCC(CCN4CCCC4)CC3)c2s1
InChIInChI=1S/C18H25N5OS/c19-17(24)15-11-14-16(25-15)18(21-12-20-14)23-9-4-13(5-10-23)3-8-22-6-1-2-7-22/h11-13H,1-10H2,(H2,19,24)
InChIKeyQQSPATQSWSHBGK-UHFFFAOYSA-N
XLogP2.49
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (CID 71654913) is 4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is NC(=O)c1cc2ncnc(N3CCC(CCN4CCCC4)CC3)c2s1.
What is the InChIKey of 4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is QQSPATQSWSHBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c19-17(24)15-11-14-16(25-15)18(21-12-20-14)23-9-4-13(5-10-23)3-8-22-6-1-2-7-22/h11-13H,1-10H2,(H2,19,24).
What are the key properties of 4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71654913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).