N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C8H11N3O4 — CID 43389997

IUPACN-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCCO)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O4/c12-3-1-2-9-6(13)5-4-10-8(15)11-7(5)14/h4,12H,1-3H2,(H,9,13)(H2,10,11,14,15)
InChIKeyWESIXELKGJCIPQ-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.82
Rot. Bonds4

About N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 43389997) 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-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID43389997
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC NameN-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCCO)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O4/c12-3-1-2-9-6(13)5-4-10-8(15)11-7(5)14/h4,12H,1-3H2,(H,9,13)(H2,10,11,14,15)
InChIKeyWESIXELKGJCIPQ-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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Related Compounds

5-[(2-hydroxyethylamino)methyl]-1H-pyrimidine-2,4-dione
CID 72711413
N-(3-hydroxypropyl)-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)acetamide
CID 379358
1-(3-Hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione
CID 14449531
ethyl N-[1-(3-hydroxypropyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate
CID 368822
5-[[(2,2-Difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 104857575
2,4-dioxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyrimidine-5-carboxamide
CID 105648704
N-(3,3-difluoro-2-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 105649078
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 107482660
N-(2-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
CID 107483379
N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 114153004
5-[[bis(2-hydroxyethyl)amino]methyl]-1H-pyrimidine-2,4-dione;hydrochloride
CID 54603578
5-(4-hydroxybut-1-ynyl)-1H-pyrimidine-2,4-dione
CID 22145349

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 43389997) is N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NCCCO)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is WESIXELKGJCIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-3-1-2-9-6(13)5-4-10-8(15)11-7(5)14/h4,12H,1-3H2,(H,9,13)(H2,10,11,14,15).
What are the key properties of N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-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-5-carboxamide is sourced from PubChem (CID 43389997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).