N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

C9H11F2N3O4 — CID 114153129

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC(F)(F)CO
InChIInChI=1S/C9H11F2N3O4/c10-9(11,4-15)3-12-6(16)1-5-2-7(17)14-8(18)13-5/h2,15H,1,3-4H2,(H,12,16)(H2,13,14,17,18)
InChIKeyGEPWXLOOWJUZFB-UHFFFAOYSA-N
MW263.20 g/mol
LogP-1.65
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 114153129) has the molecular formula C9H11F2N3O4 and a molecular weight of 263.20 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
PubChem CID114153129
Molecular FormulaC9H11F2N3O4
Molecular Weight263.20 g/mol
Exact Mass263.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC(F)(F)CO
InChIInChI=1S/C9H11F2N3O4/c10-9(11,4-15)3-12-6(16)1-5-2-7(17)14-8(18)13-5/h2,15H,1,3-4H2,(H,12,16)(H2,13,14,17,18)
InChIKeyGEPWXLOOWJUZFB-UHFFFAOYSA-N
XLogP-1.65
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
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
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 2149946
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-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 105648453
N-(2,2-difluoroethyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)acetamide
CID 107482929
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107483405
N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 114093998
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-hydroxypropyl)acetamide
CID 2149964
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 16815575
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 2149965

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (CID 114153129) is N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is GEPWXLOOWJUZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O4/c10-9(11,4-15)3-12-6(16)1-5-2-7(17)14-8(18)13-5/h2,15H,1,3-4H2,(H,12,16)(H2,13,14,17,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 263.20 g/mol, XLogP of -1.65, 5 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-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 114153129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).