propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide

C11H17N3O3 — CID 161009994

IUPACpropan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1coc2c1CNCN2.CC(C)=O
InChIInChI=1S/C8H11N3O2.C3H6O/c1-5(12)11-7-3-13-8-6(7)2-9-4-10-8;1-3(2)4/h3,9-10H,2,4H2,1H3,(H,11,12);1-2H3
InChIKeyTWZXFXDGLNUUQM-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.31
Rot. Bonds1

About propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide

propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide (PubChem CID 161009994) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Namepropan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide
PubChem CID161009994
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namepropan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1coc2c1CNCN2.CC(C)=O
InChIInChI=1S/C8H11N3O2.C3H6O/c1-5(12)11-7-3-13-8-6(7)2-9-4-10-8;1-3(2)4/h3,9-10H,2,4H2,1H3,(H,11,12);1-2H3
InChIKeyTWZXFXDGLNUUQM-UHFFFAOYSA-N
XLogP1.31
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide?
The IUPAC name of propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide (CID 161009994) is propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide is CC(=O)Nc1coc2c1CNCN2.CC(C)=O.
What is the InChIKey of propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide?
The InChIKey is TWZXFXDGLNUUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.C3H6O/c1-5(12)11-7-3-13-8-6(7)2-9-4-10-8;1-3(2)4/h3,9-10H,2,4H2,1H3,(H,11,12);1-2H3.
What are the key properties of propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide?
propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide has a molecular weight of 239.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;N-(1,2,3,4-tetrahydrofuro[2,3-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 161009994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).