2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide

C20H24N4O2S — CID 46363913

IUPAC2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCCCC2)c2c(C)c(C(=O)NCc3ccc(C)o3)sc2n1
InChIInChI=1S/C20H24N4O2S/c1-12-7-8-15(26-12)11-21-19(25)17-13(2)16-18(24-9-5-4-6-10-24)22-14(3)23-20(16)27-17/h7-8H,4-6,9-11H2,1-3H3,(H,21,25)
InChIKeyQGKODTFEJAQZRR-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.13
Rot. Bonds4

About 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide

2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46363913) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46363913
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCCCC2)c2c(C)c(C(=O)NCc3ccc(C)o3)sc2n1
InChIInChI=1S/C20H24N4O2S/c1-12-7-8-15(26-12)11-21-19(25)17-13(2)16-18(24-9-5-4-6-10-24)22-14(3)23-20(16)27-17/h7-8H,4-6,9-11H2,1-3H3,(H,21,25)
InChIKeyQGKODTFEJAQZRR-UHFFFAOYSA-N
XLogP4.13
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 46363913) is 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N2CCCCC2)c2c(C)c(C(=O)NCc3ccc(C)o3)sc2n1.
What is the InChIKey of 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QGKODTFEJAQZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-12-7-8-15(26-12)11-21-19(25)17-13(2)16-18(24-9-5-4-6-10-24)22-14(3)23-20(16)27-17/h7-8H,4-6,9-11H2,1-3H3,(H,21,25).
What are the key properties of 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).