N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide

C12H15N3O2S — CID 166244358

IUPACN-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide
SMILESCCC(C)(CO)NC(=O)c1ncnc2sccc12
InChIInChI=1S/C12H15N3O2S/c1-3-12(2,6-16)15-10(17)9-8-4-5-18-11(8)14-7-13-9/h4-5,7,16H,3,6H2,1-2H3,(H,15,17)
InChIKeyPJGRQUGIKUZGST-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.58
Rot. Bonds4

About N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide

N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide (PubChem CID 166244358) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide
PubChem CID166244358
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide
SMILESCCC(C)(CO)NC(=O)c1ncnc2sccc12
InChIInChI=1S/C12H15N3O2S/c1-3-12(2,6-16)15-10(17)9-8-4-5-18-11(8)14-7-13-9/h4-5,7,16H,3,6H2,1-2H3,(H,15,17)
InChIKeyPJGRQUGIKUZGST-UHFFFAOYSA-N
XLogP1.58
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide (CID 166244358) is N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide is CCC(C)(CO)NC(=O)c1ncnc2sccc12.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is PJGRQUGIKUZGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-12(2,6-16)15-10(17)9-8-4-5-18-11(8)14-7-13-9/h4-5,7,16H,3,6H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide?
N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 166244358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).