N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C9H11F2N3O4 — CID 107482660

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N(CCO)CC(F)F
InChIInChI=1S/C9H11F2N3O4/c10-6(11)4-14(1-2-15)8(17)5-3-12-9(18)13-7(5)16/h3,6,15H,1-2,4H2,(H2,12,13,16,18)
InChIKeyLYTDSPRYJPWNCF-UHFFFAOYSA-N
MW263.20 g/mol
LogP-1.24
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 107482660) has the molecular formula C9H11F2N3O4 and a molecular weight of 263.20 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID107482660
Molecular FormulaC9H11F2N3O4
Molecular Weight263.20 g/mol
Exact Mass263.07
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N(CCO)CC(F)F
InChIInChI=1S/C9H11F2N3O4/c10-6(11)4-14(1-2-15)8(17)5-3-12-9(18)13-7(5)16/h3,6,15H,1-2,4H2,(H2,12,13,16,18)
InChIKeyLYTDSPRYJPWNCF-UHFFFAOYSA-N
XLogP-1.24
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-hydroxyethylamino)methyl]-1H-pyrimidine-2,4-dione
CID 72711413
1-(3-Hydroxy-propyl)-5-trifluoromethyl-1H-pyrimidine-2,4-dione
CID 58994207
1-(2,2-Dihydroxyethyl)-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 156864838
3-methyl-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 71778360
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258128
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-hydroxyethyl)-2,4-dioxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
CID 107483379
5-[[(3,3-Difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 113250649
N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 113577732
N-(2,2-difluoro-3-hydroxypropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 114153004

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 107482660) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(c1c[nH]c(=O)[nH]c1=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LYTDSPRYJPWNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O4/c10-6(11)4-14(1-2-15)8(17)5-3-12-9(18)13-7(5)16/h3,6,15H,1-2,4H2,(H2,12,13,16,18).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 263.20 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 107482660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).