N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide

C10H13F2N3O4 — CID 107482929

IUPACN-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N(CCO)CC(F)F
InChIInChI=1S/C10H13F2N3O4/c11-7(12)5-15(1-2-16)9(18)4-6-3-8(17)14-10(19)13-6/h3,7,16H,1-2,4-5H2,(H2,13,14,17,19)
InChIKeySRROOIBEYIGWPB-UHFFFAOYSA-N
MW277.23 g/mol
LogP-1.31
Rot. Bonds6

About N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide

N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 107482929) has the molecular formula C10H13F2N3O4 and a molecular weight of 277.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID107482929
Molecular FormulaC10H13F2N3O4
Molecular Weight277.23 g/mol
Exact Mass277.09
IUPAC NameN-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N(CCO)CC(F)F
InChIInChI=1S/C10H13F2N3O4/c11-7(12)5-15(1-2-16)9(18)4-6-3-8(17)14-10(19)13-6/h3,7,16H,1-2,4-5H2,(H2,13,14,17,19)
InChIKeySRROOIBEYIGWPB-UHFFFAOYSA-N
XLogP-1.31
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxypropyl)acetamide
CID 16195692
6-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 2149952
5-[1-(2-hydroxyethyl)-2-methyl-6-(trifluoromethyl)pyridin-4(1H)-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2244016
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 2149946
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-(2-hydroxyethoxy)ethyl)acetamide
CID 2149969
2-[3-(2-fluoroethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetamide
CID 71019131
2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-yl]acetamide
CID 71019132
2-[2,4-dioxo-3-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-yl]acetamide
CID 71019140
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 2149963
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264617
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 105648453
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107483405

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide (CID 107482929) is N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is SRROOIBEYIGWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O4/c11-7(12)5-15(1-2-16)9(18)4-6-3-8(17)14-10(19)13-6/h3,7,16H,1-2,4-5H2,(H2,13,14,17,19).
What are the key properties of N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide?
N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 277.23 g/mol, XLogP of -1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 107482929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).