2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

C15H12FN5O2 — CID 53333276

IUPAC2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESO=c1[nH]c2nc(NC3CC3)ncc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN5O2/c16-8-1-5-10(6-2-8)21-13(22)11-7-17-14(18-9-3-4-9)19-12(11)20-15(21)23/h1-2,5-7,9H,3-4H2,(H2,17,18,19,20,23)
InChIKeyWBMJETOCWVEFQW-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.18
Rot. Bonds3

About 2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (PubChem CID 53333276) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
PubChem CID53333276
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC Name2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESO=c1[nH]c2nc(NC3CC3)ncc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN5O2/c16-8-1-5-10(6-2-8)21-13(22)11-7-17-14(18-9-3-4-9)19-12(11)20-15(21)23/h1-2,5-7,9H,3-4H2,(H2,17,18,19,20,23)
InChIKeyWBMJETOCWVEFQW-UHFFFAOYSA-N
XLogP1.18
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (CID 53333276) is 2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is O=c1[nH]c2nc(NC3CC3)ncc2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The InChIKey is WBMJETOCWVEFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c16-8-1-5-10(6-2-8)21-13(22)11-7-17-14(18-9-3-4-9)19-12(11)20-15(21)23/h1-2,5-7,9H,3-4H2,(H2,17,18,19,20,23).
What are the key properties of 2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione has a molecular weight of 313.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(4-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 53333276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).