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

C8H9F2N3O4 — CID 114153004

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCC(F)(F)CO)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H9F2N3O4/c9-8(10,3-14)2-12-5(15)4-1-11-7(17)13-6(4)16/h1,14H,2-3H2,(H,12,15)(H2,11,13,16,17)
InChIKeyKWWQSRKYAFEMGS-UHFFFAOYSA-N
MW249.17 g/mol
LogP-1.58
Rot. Bonds4

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

N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 114153004) has the molecular formula C8H9F2N3O4 and a molecular weight of 249.17 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID114153004
Molecular FormulaC8H9F2N3O4
Molecular Weight249.17 g/mol
Exact Mass249.06
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCC(F)(F)CO)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H9F2N3O4/c9-8(10,3-14)2-12-5(15)4-1-11-7(17)13-6(4)16/h1,14H,2-3H2,(H,12,15)(H2,11,13,16,17)
InChIKeyKWWQSRKYAFEMGS-UHFFFAOYSA-N
XLogP-1.58
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.17
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Hydroxy-propyl)-5-trifluoromethyl-1H-pyrimidine-2,4-dione
CID 58994207
3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 71778360
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
5-[[3-Hydroxypropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 109932048
N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 113577732
N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 241890
N-(3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43389997
N-(3-hydroxypropyl)-2,4-dioxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 54916721

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 114153004) is N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NCC(F)(F)CO)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is KWWQSRKYAFEMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O4/c9-8(10,3-14)2-12-5(15)4-1-11-7(17)13-6(4)16/h1,14H,2-3H2,(H,12,15)(H2,11,13,16,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 249.17 g/mol, XLogP of -1.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 114153004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).