N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C11H17N3O4 — CID 62519937

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c1-3-11(4-2,6-15)14-9(17)7-5-8(16)13-10(18)12-7/h5,15H,3-4,6H2,1-2H3,(H,14,17)(H2,12,13,16,18)
InChIKeyVEXSXAVCJYTKGH-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.66
Rot. Bonds5

About N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 62519937) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID62519937
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c1-3-11(4-2,6-15)14-9(17)7-5-8(16)13-10(18)12-7/h5,15H,3-4,6H2,1-2H3,(H,14,17)(H2,12,13,16,18)
InChIKeyVEXSXAVCJYTKGH-UHFFFAOYSA-N
XLogP-0.66
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 62519937) is N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCC(CC)(CO)NC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is VEXSXAVCJYTKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-11(4-2,6-15)14-9(17)7-5-8(16)13-10(18)12-7/h5,15H,3-4,6H2,1-2H3,(H,14,17)(H2,12,13,16,18).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 255.27 g/mol, XLogP of -0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 62519937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).