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

C22H26N4O2S — CID 3567641

IUPACN-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C
InChIInChI=1S/C22H26N4O2S/c1-14-18-20(26-11-7-4-8-12-26)24-15(2)25-22(18)29-19(14)21(27)23-13-16-9-5-6-10-17(16)28-3/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,23,27)
InChIKeyVIDPEHWQJOVCPN-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.24
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 3567641) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID3567641
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C
InChIInChI=1S/C22H26N4O2S/c1-14-18-20(26-11-7-4-8-12-26)24-15(2)25-22(18)29-19(14)21(27)23-13-16-9-5-6-10-17(16)28-3/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,23,27)
InChIKeyVIDPEHWQJOVCPN-UHFFFAOYSA-N
XLogP4.24
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 3567641) is N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is COc1ccccc1CNC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VIDPEHWQJOVCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-14-18-20(26-11-7-4-8-12-26)24-15(2)25-22(18)29-19(14)21(27)23-13-16-9-5-6-10-17(16)28-3/h5-6,9-10H,4,7-8,11-13H2,1-3H3,(H,23,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 3567641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).