6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione

C21H16ClFN4O2 — CID 135379077

IUPAC6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione
SMILESCC(C)c1ccccc1-n1c(=O)[nH]c(=O)c2nc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C21H16ClFN4O2/c1-11(2)12-7-4-6-10-15(12)27-19-17(20(28)26-21(27)29)24-18(22)16(25-19)13-8-3-5-9-14(13)23/h3-11H,1-2H3,(H,26,28,29)
InChIKeyBLVGCUBJOXTGPM-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.05
Rot. Bonds3

About 6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione

6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione (PubChem CID 135379077) has the molecular formula C21H16ClFN4O2 and a molecular weight of 410.84 g/mol. Its IUPAC name is 6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione.

Molecular Properties

Compound Name6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione
PubChem CID135379077
Molecular FormulaC21H16ClFN4O2
Molecular Weight410.84 g/mol
Exact Mass410.09
IUPAC Name6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione
SMILESCC(C)c1ccccc1-n1c(=O)[nH]c(=O)c2nc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C21H16ClFN4O2/c1-11(2)12-7-4-6-10-15(12)27-19-17(20(28)26-21(27)29)24-18(22)16(25-19)13-8-3-5-9-14(13)23/h3-11H,1-2H3,(H,26,28,29)
InChIKeyBLVGCUBJOXTGPM-UHFFFAOYSA-N
XLogP4.05
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1-(2,3-dimethyl-5-propan-2-yl-4-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 147709530
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-6-propan-2-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 153292541
6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 112598911
6-chloro-1-(4-ethyl-2-propan-2-yl-3-pyridinyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 151655175
4-amino-7-chloro-6-fluoro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167080503
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391
6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 167103373
6-chloro-4-(2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl)-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pteridin-2-one
CID 152810765
4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146235349
9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide
CID 7519646
6-chloro-3-(2-methylsulfanylphenyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 107647398
6-chloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 172853674

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione?
The IUPAC name of 6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione (CID 135379077) is 6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione.
What is the SMILES notation for 6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione?
The canonical SMILES for 6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione is CC(C)c1ccccc1-n1c(=O)[nH]c(=O)c2nc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of 6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione?
The InChIKey is BLVGCUBJOXTGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2/c1-11(2)12-7-4-6-10-15(12)27-19-17(20(28)26-21(27)29)24-18(22)16(25-19)13-8-3-5-9-14(13)23/h3-11H,1-2H3,(H,26,28,29).
What are the key properties of 6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione?
6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione has a molecular weight of 410.84 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2-fluorophenyl)-1-(2-propan-2-ylphenyl)pteridine-2,4-dione is sourced from PubChem (CID 135379077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).