N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide

C19H26N6OS — CID 157029229

IUPACN-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide
SMILESCc1sc2nc(-c3cn(C)cn3)nc(N(C)CC(=O)NC(C)(C)C)c2c1C
InChIInChI=1S/C19H26N6OS/c1-11-12(2)27-18-15(11)17(25(7)9-14(26)23-19(3,4)5)21-16(22-18)13-8-24(6)10-20-13/h8,10H,9H2,1-7H3,(H,23,26)
InChIKeyWNHDRPDJQOUEEI-UHFFFAOYSA-N
MW386.53 g/mol
LogP3.06
Rot. Bonds4

About N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide

N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide (PubChem CID 157029229) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide
PubChem CID157029229
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC NameN-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide
SMILESCc1sc2nc(-c3cn(C)cn3)nc(N(C)CC(=O)NC(C)(C)C)c2c1C
InChIInChI=1S/C19H26N6OS/c1-11-12(2)27-18-15(11)17(25(7)9-14(26)23-19(3,4)5)21-16(22-18)13-8-24(6)10-20-13/h8,10H,9H2,1-7H3,(H,23,26)
InChIKeyWNHDRPDJQOUEEI-UHFFFAOYSA-N
XLogP3.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide (CID 157029229) is N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide is Cc1sc2nc(-c3cn(C)cn3)nc(N(C)CC(=O)NC(C)(C)C)c2c1C.
What is the InChIKey of N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide?
The InChIKey is WNHDRPDJQOUEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-11-12(2)27-18-15(11)17(25(7)9-14(26)23-19(3,4)5)21-16(22-18)13-8-24(6)10-20-13/h8,10H,9H2,1-7H3,(H,23,26).
What are the key properties of N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide?
N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 386.53 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[5,6-dimethyl-2-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 157029229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).