2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

C18H26N4O2S — CID 30376117

IUPAC2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C(C)(C)C)nc2sc(C(=O)NCC(=O)NC(C)C)c(C)c12
InChIInChI=1S/C18H26N4O2S/c1-9(2)20-12(23)8-19-15(24)14-10(3)13-11(4)21-17(18(5,6)7)22-16(13)25-14/h9H,8H2,1-7H3,(H,19,24)(H,20,23)
InChIKeyMKNWDBKLMATXCS-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.86
Rot. Bonds4

About 2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 30376117) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID30376117
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C(C)(C)C)nc2sc(C(=O)NCC(=O)NC(C)C)c(C)c12
InChIInChI=1S/C18H26N4O2S/c1-9(2)20-12(23)8-19-15(24)14-10(3)13-11(4)21-17(18(5,6)7)22-16(13)25-14/h9H,8H2,1-7H3,(H,19,24)(H,20,23)
InChIKeyMKNWDBKLMATXCS-UHFFFAOYSA-N
XLogP2.86
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(5-sulfamoylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 18286297
2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628423
N-(1,3-benzothiazol-2-ylmethyl)-2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 18270421
2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628421
2,4,5-trimethyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24671777
2-tert-butyl-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 94006747
2-tert-butyl-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30797052
2-tert-butyl-4,5-dimethyl-N-(2-quinolin-8-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 18208934
2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46517817
2-tert-butyl-N-(2-ethylsulfonylphenyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 51113887
2,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46564228

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 30376117) is 2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C(C)(C)C)nc2sc(C(=O)NCC(=O)NC(C)C)c(C)c12.
What is the InChIKey of 2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is MKNWDBKLMATXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-9(2)20-12(23)8-19-15(24)14-10(3)13-11(4)21-17(18(5,6)7)22-16(13)25-14/h9H,8H2,1-7H3,(H,19,24)(H,20,23).
What are the key properties of 2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?
2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 30376117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).