N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C13H15N3O3S — CID 115668775

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NCC1(O)CCC1
InChIInChI=1S/C13H15N3O3S/c17-10(14-7-13(19)3-1-4-13)6-16-8-15-11-9(12(16)18)2-5-20-11/h2,5,8,19H,1,3-4,6-7H2,(H,14,17)
InChIKeyHAOUVULCJUZDQK-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.49
Rot. Bonds4

About N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 115668775) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID115668775
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESO=C(Cn1cnc2sccc2c1=O)NCC1(O)CCC1
InChIInChI=1S/C13H15N3O3S/c17-10(14-7-13(19)3-1-4-13)6-16-8-15-11-9(12(16)18)2-5-20-11/h2,5,8,19H,1,3-4,6-7H2,(H,14,17)
InChIKeyHAOUVULCJUZDQK-UHFFFAOYSA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 115668775) is N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is O=C(Cn1cnc2sccc2c1=O)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is HAOUVULCJUZDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-10(14-7-13(19)3-1-4-13)6-16-8-15-11-9(12(16)18)2-5-20-11/h2,5,8,19H,1,3-4,6-7H2,(H,14,17).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 115668775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).