N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide

C11H15N3O3 — CID 121064098

IUPACN-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnccc1=O)NCC1CCCO1
InChIInChI=1S/C11H15N3O3/c15-10(13-6-9-2-1-5-17-9)7-14-8-12-4-3-11(14)16/h3-4,8-9H,1-2,5-7H2,(H,13,15)
InChIKeyQRGSGBXWFOSODO-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.46
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide

N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 121064098) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID121064098
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnccc1=O)NCC1CCCO1
InChIInChI=1S/C11H15N3O3/c15-10(13-6-9-2-1-5-17-9)7-14-8-12-4-3-11(14)16/h3-4,8-9H,1-2,5-7H2,(H,13,15)
InChIKeyQRGSGBXWFOSODO-UHFFFAOYSA-N
XLogP-0.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide (CID 121064098) is N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cnccc1=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is QRGSGBXWFOSODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10(13-6-9-2-1-5-17-9)7-14-8-12-4-3-11(14)16/h3-4,8-9H,1-2,5-7H2,(H,13,15).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide?
N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 237.26 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 121064098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).