N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C8H10F2N4O3 — CID 114383339

IUPACN-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H10F2N4O3/c9-8(10,2-11)3-12-6(16)4-1-5(15)14-7(17)13-4/h1H,2-3,11H2,(H,12,16)(H2,13,14,15,17)
InChIKeyGHCZNKDOWBLONN-UHFFFAOYSA-N
MW248.19 g/mol
LogP-1.61
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 114383339) has the molecular formula C8H10F2N4O3 and a molecular weight of 248.19 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID114383339
Molecular FormulaC8H10F2N4O3
Molecular Weight248.19 g/mol
Exact Mass248.07
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H10F2N4O3/c9-8(10,2-11)3-12-6(16)4-1-5(15)14-7(17)13-4/h1H,2-3,11H2,(H,12,16)(H2,13,14,15,17)
InChIKeyGHCZNKDOWBLONN-UHFFFAOYSA-N
XLogP-1.61
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
2,4-dioxo-N-pentyl-1H-pyrimidine-6-carboxamide
CID 110698284
6-(Aminomethyl)-1-methyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 124087357
2-[2-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]ethylamino]acetamide
CID 141015012
4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(methylamino)butanamide
CID 153813244
N-(2-aminoethyl)uracil-6-carboxamide
CID 60966285
1,3-Bis(2-fluoroethyl)-5-(2-fluoroethylamino)pyrimidine-2,4-dione
CID 417386
N-(3-aminopropyl)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 12844150
1,3-Dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione
CID 43664936
2-(2,4-dioxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 47123707
6-Amino-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 54933255
6-Amino-3-methyl-1-propyl-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 54933349

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 114383339) is N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is NCC(F)(F)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is GHCZNKDOWBLONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N4O3/c9-8(10,2-11)3-12-6(16)4-1-5(15)14-7(17)13-4/h1H,2-3,11H2,(H,12,16)(H2,13,14,15,17).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 248.19 g/mol, XLogP of -1.61, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 114383339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).