5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione

C7H9F2N3O2 — CID 165472065

IUPAC5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione
SMILESCC(F)(F)Cn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C7H9F2N3O2/c1-7(8,9)3-12-2-4(10)5(13)11-6(12)14/h2H,3,10H2,1H3,(H,11,13,14)
InChIKeyPNOHQLMXNXEOQW-UHFFFAOYSA-N
MW205.16 g/mol
LogP-0.23
Rot. Bonds2

About 5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione

5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione (PubChem CID 165472065) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione
PubChem CID165472065
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione
SMILESCC(F)(F)Cn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C7H9F2N3O2/c1-7(8,9)3-12-2-4(10)5(13)11-6(12)14/h2H,3,10H2,1H3,(H,11,13,14)
InChIKeyPNOHQLMXNXEOQW-UHFFFAOYSA-N
XLogP-0.23
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione (CID 165472065) is 5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione is CC(F)(F)Cn1cc(N)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione?
The InChIKey is PNOHQLMXNXEOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c1-7(8,9)3-12-2-4(10)5(13)11-6(12)14/h2H,3,10H2,1H3,(H,11,13,14).
What are the key properties of 5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione?
5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione has a molecular weight of 205.16 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,2-difluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 165472065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).