N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

C25H26N6O2S — CID 4604102

IUPACN-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2nc(C)nc(N3CCN(c4ccccn4)CC3)c2c1C
InChIInChI=1S/C25H26N6O2S/c1-16-21-23(31-14-12-30(13-15-31)20-10-6-7-11-26-20)27-17(2)28-25(21)34-22(16)24(32)29-18-8-4-5-9-19(18)33-3/h4-11H,12-15H2,1-3H3,(H,29,32)
InChIKeyXZYHTIJBQYYDAF-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.29
Rot. Bonds5

About N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide

N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 4604102) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID4604102
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC NameN-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)c1sc2nc(C)nc(N3CCN(c4ccccn4)CC3)c2c1C
InChIInChI=1S/C25H26N6O2S/c1-16-21-23(31-14-12-30(13-15-31)20-10-6-7-11-26-20)27-17(2)28-25(21)34-22(16)24(32)29-18-8-4-5-9-19(18)33-3/h4-11H,12-15H2,1-3H3,(H,29,32)
InChIKeyXZYHTIJBQYYDAF-UHFFFAOYSA-N
XLogP4.29
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 6615528
N-(3-chloro-4-methylphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4608084
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4651709
[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 6615554
N-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567641
[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methylpiperidin-1-yl)methanone
CID 6615572
N-(2-methoxyphenyl)-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28888917
N-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4608200
N-(2-methoxyphenyl)-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28867954
N-(3,4-dimethylphenyl)-2,5-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46363857
methyl 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133315815
2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 23734696

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 4604102) is N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)c1sc2nc(C)nc(N3CCN(c4ccccn4)CC3)c2c1C.
What is the InChIKey of N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XZYHTIJBQYYDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-16-21-23(31-14-12-30(13-15-31)20-10-6-7-11-26-20)27-17(2)28-25(21)34-22(16)24(32)29-18-8-4-5-9-19(18)33-3/h4-11H,12-15H2,1-3H3,(H,29,32).
What are the key properties of N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 4604102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).