5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione

C7H9F2N3O2 — CID 63799217

IUPAC5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(N)c(=O)n(CC(F)F)c1=O
InChIInChI=1S/C7H9F2N3O2/c1-11-2-4(10)6(13)12(7(11)14)3-5(8)9/h2,5H,3,10H2,1H3
InChIKeyBSVTWRCSOUBWMH-UHFFFAOYSA-N
MW205.16 g/mol
LogP-0.61
Rot. Bonds2

About 5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione

5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione (PubChem CID 63799217) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione
PubChem CID63799217
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(N)c(=O)n(CC(F)F)c1=O
InChIInChI=1S/C7H9F2N3O2/c1-11-2-4(10)6(13)12(7(11)14)3-5(8)9/h2,5H,3,10H2,1H3
InChIKeyBSVTWRCSOUBWMH-UHFFFAOYSA-N
XLogP-0.61
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 265774
5-(Dimethylamino)uracil
CID 255552
5-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 250711
ST50759025
CID 284250
N,N-diethyl-2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 296426
n3-Methyl-5-methylaminouracil
CID 67427146
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide
CID 154200609
5-Amino-6-(2,2-difluoroethylamino)-1-methylpyrimidine-2,4-dione
CID 176086688
5-(Ethylamino)-uracil
CID 236127
5-[(2-Aminoethyl)amino] methyluracil
CID 129825521
5-Acetylamino-3-methyl-uracil
CID 129852102
(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)urea
CID 129934868

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione (CID 63799217) is 5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione is Cn1cc(N)c(=O)n(CC(F)F)c1=O.
What is the InChIKey of 5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is BSVTWRCSOUBWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c1-11-2-4(10)6(13)12(7(11)14)3-5(8)9/h2,5H,3,10H2,1H3.
What are the key properties of 5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione?
5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 205.16 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2,2-difluoroethyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 63799217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).