N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C14H18N4O3S — CID 2614043

IUPACN-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)CCNC(=O)NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C14H18N4O3S/c1-9(2)3-5-15-14(20)18-11(19)7-21-12-10-4-6-22-13(10)17-8-16-12/h4,6,8-9H,3,5,7H2,1-2H3,(H2,15,18,19,20)
InChIKeyHYHQPSAALYMOMA-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.94
Rot. Bonds6

About N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2614043) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2614043
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC NameN-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)CCNC(=O)NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C14H18N4O3S/c1-9(2)3-5-15-14(20)18-11(19)7-21-12-10-4-6-22-13(10)17-8-16-12/h4,6,8-9H,3,5,7H2,1-2H3,(H2,15,18,19,20)
InChIKeyHYHQPSAALYMOMA-UHFFFAOYSA-N
XLogP1.94
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2614043) is N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is CC(C)CCNC(=O)NC(=O)COc1ncnc2sccc12.
What is the InChIKey of N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is HYHQPSAALYMOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-9(2)3-5-15-14(20)18-11(19)7-21-12-10-4-6-22-13(10)17-8-16-12/h4,6,8-9H,3,5,7H2,1-2H3,(H2,15,18,19,20).
What are the key properties of N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 322.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2614043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).