N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

C21H25N5OS — CID 42277693

IUPACN-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)sc2ncnc(N(C)CCc3ccccn3)c12
InChIInChI=1S/C21H25N5OS/c1-14-17-19(26(2)12-10-15-7-5-6-11-22-15)23-13-24-21(17)28-18(14)20(27)25-16-8-3-4-9-16/h5-7,11,13,16H,3-4,8-10,12H2,1-2H3,(H,25,27)
InChIKeyFIULQSQLUXQASX-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.75
Rot. Bonds6

About N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42277693) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42277693
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CCCC2)sc2ncnc(N(C)CCc3ccccn3)c12
InChIInChI=1S/C21H25N5OS/c1-14-17-19(26(2)12-10-15-7-5-6-11-22-15)23-13-24-21(17)28-18(14)20(27)25-16-8-3-4-9-16/h5-7,11,13,16H,3-4,8-10,12H2,1-2H3,(H,25,27)
InChIKeyFIULQSQLUXQASX-UHFFFAOYSA-N
XLogP3.75
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 42277693) is N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2CCCC2)sc2ncnc(N(C)CCc3ccccn3)c12.
What is the InChIKey of N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FIULQSQLUXQASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-14-17-19(26(2)12-10-15-7-5-6-11-22-15)23-13-24-21(17)28-18(14)20(27)25-16-8-3-4-9-16/h5-7,11,13,16H,3-4,8-10,12H2,1-2H3,(H,25,27).
What are the key properties of N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42277693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).