2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide

C15H22N4O2 — CID 86791415

IUPAC2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1cncnc1N1CCCC1
InChIInChI=1S/C15H22N4O2/c20-14(9-12-5-1-4-8-21-12)18-13-10-16-11-17-15(13)19-6-2-3-7-19/h10-12H,1-9H2,(H,18,20)
InChIKeyGYSISIIVHHZZKQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.97
Rot. Bonds4

About 2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide

2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide (PubChem CID 86791415) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
PubChem CID86791415
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1cncnc1N1CCCC1
InChIInChI=1S/C15H22N4O2/c20-14(9-12-5-1-4-8-21-12)18-13-10-16-11-17-15(13)19-6-2-3-7-19/h10-12H,1-9H2,(H,18,20)
InChIKeyGYSISIIVHHZZKQ-UHFFFAOYSA-N
XLogP1.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide (CID 86791415) is 2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide is O=C(CC1CCCCO1)Nc1cncnc1N1CCCC1.
What is the InChIKey of 2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is GYSISIIVHHZZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14(9-12-5-1-4-8-21-12)18-13-10-16-11-17-15(13)19-6-2-3-7-19/h10-12H,1-9H2,(H,18,20).
What are the key properties of 2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 86791415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).