6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione

C19H21FN6O4 — CID 139086942

IUPAC6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(c2ccc(F)cc2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C19H21FN6O4/c1-23-14(21)12(16(27)25(3)18(23)29)11(9-5-7-10(20)8-6-9)13-15(22)24(2)19(30)26(4)17(13)28/h5-8,11H,21-22H2,1-4H3
InChIKeyMWZZODUHCGRWFZ-UHFFFAOYSA-N
MW416.41 g/mol
LogP-1.03
Rot. Bonds3

About 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 139086942) has the molecular formula C19H21FN6O4 and a molecular weight of 416.41 g/mol. Its IUPAC name is 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID139086942
Molecular FormulaC19H21FN6O4
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(c2ccc(F)cc2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C19H21FN6O4/c1-23-14(21)12(16(27)25(3)18(23)29)11(9-5-7-10(20)8-6-9)13-15(22)24(2)19(30)26(4)17(13)28/h5-8,11H,21-22H2,1-4H3
InChIKeyMWZZODUHCGRWFZ-UHFFFAOYSA-N
XLogP-1.03
TPSA140.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 139086942) is 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(c2ccc(F)cc2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is MWZZODUHCGRWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O4/c1-23-14(21)12(16(27)25(3)18(23)29)11(9-5-7-10(20)8-6-9)13-15(22)24(2)19(30)26(4)17(13)28/h5-8,11H,21-22H2,1-4H3.
What are the key properties of 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 416.41 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(4-fluorophenyl)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 139086942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).