N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide

C12H19N3O3 — CID 62519767

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCC(CC)(CO)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H19N3O3/c1-3-12(4-2,9-16)14-10(17)8-15-7-5-6-13-11(15)18/h5-7,16H,3-4,8-9H2,1-2H3,(H,14,17)
InChIKeyGYDDMWVIVCGIMJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.09
Rot. Bonds6

About N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 62519767) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID62519767
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCCC(CC)(CO)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C12H19N3O3/c1-3-12(4-2,9-16)14-10(17)8-15-7-5-6-13-11(15)18/h5-7,16H,3-4,8-9H2,1-2H3,(H,14,17)
InChIKeyGYDDMWVIVCGIMJ-UHFFFAOYSA-N
XLogP-0.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 62519767) is N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide is CCC(CC)(CO)NC(=O)Cn1cccnc1=O.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is GYDDMWVIVCGIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-12(4-2,9-16)14-10(17)8-15-7-5-6-13-11(15)18/h5-7,16H,3-4,8-9H2,1-2H3,(H,14,17).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 253.30 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 62519767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).