1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

C26H30N6O2S — CID 137316110

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)N(Cc4nc5ccccc5c(=O)[nH]4)C(C)C)CC3)c2c1C
InChIInChI=1S/C26H30N6O2S/c1-15(2)32(13-21-29-20-8-6-5-7-19(20)24(33)30-21)26(34)18-9-11-31(12-10-18)23-22-16(3)17(4)35-25(22)28-14-27-23/h5-8,14-15,18H,9-13H2,1-4H3,(H,29,30,33)
InChIKeyYYLSJEIBWKWFTK-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.20
Rot. Bonds5

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 137316110) has the molecular formula C26H30N6O2S and a molecular weight of 490.63 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID137316110
Molecular FormulaC26H30N6O2S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)N(Cc4nc5ccccc5c(=O)[nH]4)C(C)C)CC3)c2c1C
InChIInChI=1S/C26H30N6O2S/c1-15(2)32(13-21-29-20-8-6-5-7-19(20)24(33)30-21)26(34)18-9-11-31(12-10-18)23-22-16(3)17(4)35-25(22)28-14-27-23/h5-8,14-15,18H,9-13H2,1-4H3,(H,29,30,33)
InChIKeyYYLSJEIBWKWFTK-UHFFFAOYSA-N
XLogP4.20
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 55602131
1-ethylsulfonyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 135903946
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide
CID 41466549
N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 9268829
[1-(N-methylanilino)-1-oxopropan-2-yl] 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 55373494
(3R)-1-benzyl-5-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 136793456
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55595247
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 55541720
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26448184
(4-phenylmethoxyphenyl) 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 4840728
N-(2-cyanoethyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 56534781
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 137316110) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)N(Cc4nc5ccccc5c(=O)[nH]4)C(C)C)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is YYLSJEIBWKWFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2S/c1-15(2)32(13-21-29-20-8-6-5-7-19(20)24(33)30-21)26(34)18-9-11-31(12-10-18)23-22-16(3)17(4)35-25(22)28-14-27-23/h5-8,14-15,18H,9-13H2,1-4H3,(H,29,30,33).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 137316110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).