N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C8H11N3O4 — CID 43500353

IUPACN-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCCCO)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O4/c12-3-1-2-9-7(14)5-4-6(13)11-8(15)10-5/h4,12H,1-3H2,(H,9,14)(H2,10,11,13,15)
InChIKeyUVFMVOOGAVJIMJ-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.82
Rot. Bonds4

About N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 43500353) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID43500353
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC NameN-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCCCO)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O4/c12-3-1-2-9-7(14)5-4-6(13)11-8(15)10-5/h4,12H,1-3H2,(H,9,14)(H2,10,11,13,15)
InChIKeyUVFMVOOGAVJIMJ-UHFFFAOYSA-N
XLogP-1.82
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 43500353) is N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NCCCO)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is UVFMVOOGAVJIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-3-1-2-9-7(14)5-4-6(13)11-8(15)10-5/h4,12H,1-3H2,(H,9,14)(H2,10,11,13,15).
What are the key properties of N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 213.19 g/mol, XLogP of -1.82, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 43500353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).