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

C12H17F2N3O4 — CID 107482611

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H17F2N3O4/c1-7-8(11(20)16-12(21)15-7)2-3-10(19)17(4-5-18)6-9(13)14/h9,18H,2-6H2,1H3,(H2,15,16,20,21)
InChIKeyJBAWPLYRQWUARS-UHFFFAOYSA-N
MW305.28 g/mol
LogP-0.61
Rot. Bonds7

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 107482611) has the molecular formula C12H17F2N3O4 and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID107482611
Molecular FormulaC12H17F2N3O4
Molecular Weight305.28 g/mol
Exact Mass305.12
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H17F2N3O4/c1-7-8(11(20)16-12(21)15-7)2-3-10(19)17(4-5-18)6-9(13)14/h9,18H,2-6H2,1H3,(H2,15,16,20,21)
InChIKeyJBAWPLYRQWUARS-UHFFFAOYSA-N
XLogP-0.61
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 107482611) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is JBAWPLYRQWUARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O4/c1-7-8(11(20)16-12(21)15-7)2-3-10(19)17(4-5-18)6-9(13)14/h9,18H,2-6H2,1H3,(H2,15,16,20,21).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 305.28 g/mol, XLogP of -0.61, 7 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)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 107482611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).