4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione

C22H15N5O2 — CID 135464441

IUPAC4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione
SMILESNc1c2nc(-c3cccc4ccccc34)[nH]c(=O)c2nc(=O)n1-c1ccccc1
InChIInChI=1S/C22H15N5O2/c23-19-17-18(25-22(29)27(19)14-9-2-1-3-10-14)21(28)26-20(24-17)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,23H2,(H,24,26,28)
InChIKeyKBBBFAIRFGKMTG-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.87
Rot. Bonds2

About 4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione

4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione (PubChem CID 135464441) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione.

Molecular Properties

Compound Name4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione
PubChem CID135464441
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione
SMILESNc1c2nc(-c3cccc4ccccc34)[nH]c(=O)c2nc(=O)n1-c1ccccc1
InChIInChI=1S/C22H15N5O2/c23-19-17-18(25-22(29)27(19)14-9-2-1-3-10-14)21(28)26-20(24-17)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,23H2,(H,24,26,28)
InChIKeyKBBBFAIRFGKMTG-UHFFFAOYSA-N
XLogP2.87
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione with MolForge

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Related Compounds

4-amino-6-(2-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)-7H-pyrimido[5,4-d]pyrimidine-2,8-dione
CID 136510035
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
5-naphthalen-1-yl-2-phenyl-4H-1,2,4-triazol-3-one
CID 165352090
6-(1-aminopropyl)-3-naphthalen-1-yl-4H-1,2,4-triazin-5-one
CID 135594094
4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one
CID 106513986
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306
5-(2-chlorophenyl)-3-phenyl-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135439745
4-naphthalen-1-yl-2-phenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
CID 671974
2-amino-3-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 162513899
2-naphthalen-1-yl-1H-benzimidazole-4-carbonitrile
CID 104720555
2,3-dinaphthalen-1-ylcycloprop-2-en-1-one
CID 11034120
5-(2-aminophenyl)-1,3-dimethyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135626424

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione?
The IUPAC name of 4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione (CID 135464441) is 4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione.
What is the SMILES notation for 4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione?
The canonical SMILES for 4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione is Nc1c2nc(-c3cccc4ccccc34)[nH]c(=O)c2nc(=O)n1-c1ccccc1.
What is the InChIKey of 4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione?
The InChIKey is KBBBFAIRFGKMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c23-19-17-18(25-22(29)27(19)14-9-2-1-3-10-14)21(28)26-20(24-17)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H,23H2,(H,24,26,28).
What are the key properties of 4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione?
4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione has a molecular weight of 381.40 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-naphthalen-1-yl-3-phenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione is sourced from PubChem (CID 135464441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).