5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione

C11H11FN4O2 — CID 15859067

IUPAC5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(N)c(N)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H11FN4O2/c1-15-10(17)8(13)9(14)16(11(15)18)7-4-2-6(12)3-5-7/h2-5H,13-14H2,1H3
InChIKeyKNNSSQKGFZDVKB-UHFFFAOYSA-N
MW250.23 g/mol
LogP-0.16
Rot. Bonds1

About 5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione

5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione (PubChem CID 15859067) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
PubChem CID15859067
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)c(N)c(N)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H11FN4O2/c1-15-10(17)8(13)9(14)16(11(15)18)7-4-2-6(12)3-5-7/h2-5H,13-14H2,1H3
InChIKeyKNNSSQKGFZDVKB-UHFFFAOYSA-N
XLogP-0.16
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione (CID 15859067) is 5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione is Cn1c(=O)c(N)c(N)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is KNNSSQKGFZDVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-15-10(17)8(13)9(14)16(11(15)18)7-4-2-6(12)3-5-7/h2-5H,13-14H2,1H3.
What are the key properties of 5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione?
5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 250.23 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 15859067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).