N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C12H19N3O4 — CID 106115873

IUPACN-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O4/c1-2-3-8(4-5-16)7-13-11(18)9-6-10(17)15-12(19)14-9/h6,8,16H,2-5,7H2,1H3,(H,13,18)(H2,14,15,17,19)
InChIKeyMVWYKFLGDJNKPJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.41
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 106115873) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID106115873
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O4/c1-2-3-8(4-5-16)7-13-11(18)9-6-10(17)15-12(19)14-9/h6,8,16H,2-5,7H2,1H3,(H,13,18)(H2,14,15,17,19)
InChIKeyMVWYKFLGDJNKPJ-UHFFFAOYSA-N
XLogP-0.41
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 106115873) is N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCCC(CCO)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is MVWYKFLGDJNKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-3-8(4-5-16)7-13-11(18)9-6-10(17)15-12(19)14-9/h6,8,16H,2-5,7H2,1H3,(H,13,18)(H2,14,15,17,19).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 269.30 g/mol, XLogP of -0.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 106115873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).