2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide

C11H18N4O2 — CID 155185974

IUPAC2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C11H18N4O2/c1-3-8(4-2)13-10(16)7-15-6-5-9(12)14-11(15)17/h5-6,8H,3-4,7H2,1-2H3,(H,13,16)(H2,12,14,17)
InChIKeySGBNELVZJRSYJH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.13
Rot. Bonds5

About 2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide

2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide (PubChem CID 155185974) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
PubChem CID155185974
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C11H18N4O2/c1-3-8(4-2)13-10(16)7-15-6-5-9(12)14-11(15)17/h5-6,8H,3-4,7H2,1-2H3,(H,13,16)(H2,12,14,17)
InChIKeySGBNELVZJRSYJH-UHFFFAOYSA-N
XLogP0.13
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide (CID 155185974) is 2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1ccc(N)nc1=O.
What is the InChIKey of 2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is SGBNELVZJRSYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-8(4-2)13-10(16)7-15-6-5-9(12)14-11(15)17/h5-6,8H,3-4,7H2,1-2H3,(H,13,16)(H2,12,14,17).
What are the key properties of 2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide?
2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 155185974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).