2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

C25H26N4OS — CID 46517817

IUPAC2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C(C)(C)C)nc2sc(C(=O)NC(c3ccccc3)c3ccccn3)c(C)c12
InChIInChI=1S/C25H26N4OS/c1-15-19-16(2)27-24(25(3,4)5)29-23(19)31-21(15)22(30)28-20(17-11-7-6-8-12-17)18-13-9-10-14-26-18/h6-14,20H,1-5H3,(H,28,30)
InChIKeyQYRWJPWKMXPMHN-UHFFFAOYSA-N
MW430.58 g/mol
LogP5.52
Rot. Bonds4

About 2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 46517817) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID46517817
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C(C)(C)C)nc2sc(C(=O)NC(c3ccccc3)c3ccccn3)c(C)c12
InChIInChI=1S/C25H26N4OS/c1-15-19-16(2)27-24(25(3,4)5)29-23(19)31-21(15)22(30)28-20(17-11-7-6-8-12-17)18-13-9-10-14-26-18/h6-14,20H,1-5H3,(H,28,30)
InChIKeyQYRWJPWKMXPMHN-UHFFFAOYSA-N
XLogP5.52
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 171678664
2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 49318983
4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052697
N-(1,3-benzothiazol-2-ylmethyl)-2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18270421
2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 30376117
2-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 71888118
2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18208934
2-tert-butyl-N-(2-ethylsulfonylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51113887
2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628423
2-tert-butyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24628588
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 46517817) is 2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C(C)(C)C)nc2sc(C(=O)NC(c3ccccc3)c3ccccn3)c(C)c12.
What is the InChIKey of 2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QYRWJPWKMXPMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-15-19-16(2)27-24(25(3,4)5)29-23(19)31-21(15)22(30)28-20(17-11-7-6-8-12-17)18-13-9-10-14-26-18/h6-14,20H,1-5H3,(H,28,30).
What are the key properties of 2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 430.58 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46517817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).