N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

C11H15F2N3O4 — CID 104862870

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C11H15F2N3O4/c1-6-7(9(19)16-10(20)15-6)2-3-8(18)14-4-11(12,13)5-17/h17H,2-5H2,1H3,(H,14,18)(H2,15,16,19,20)
InChIKeyJBRBUGGBKCLNQV-UHFFFAOYSA-N
MW291.25 g/mol
LogP-0.95
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 104862870) has the molecular formula C11H15F2N3O4 and a molecular weight of 291.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID104862870
Molecular FormulaC11H15F2N3O4
Molecular Weight291.25 g/mol
Exact Mass291.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(F)(F)CO
InChIInChI=1S/C11H15F2N3O4/c1-6-7(9(19)16-10(20)15-6)2-3-8(18)14-4-11(12,13)5-17/h17H,2-5H2,1H3,(H,14,18)(H2,15,16,19,20)
InChIKeyJBRBUGGBKCLNQV-UHFFFAOYSA-N
XLogP-0.95
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 104862870) is N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is JBRBUGGBKCLNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O4/c1-6-7(9(19)16-10(20)15-6)2-3-8(18)14-4-11(12,13)5-17/h17H,2-5H2,1H3,(H,14,18)(H2,15,16,19,20).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 291.25 g/mol, XLogP of -0.95, 6 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)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 104862870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).