5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione

C23H19BrN4O3 — CID 59717152

IUPAC5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(Nc2ccccc2)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(Br)cc3)c2cc1=O
InChIInChI=1S/C23H19BrN4O3/c1-26-19(29)13-18-20(21(26)25-15-5-3-2-4-6-15)22(30)28(17-11-12-17)23(31)27(18)16-9-7-14(24)8-10-16/h2-10,13,17,25H,11-12H2,1H3
InChIKeyCMZHSADTGLZGBQ-UHFFFAOYSA-N
MW479.33 g/mol
LogP3.69
Rot. Bonds4

About 5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione

5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione (PubChem CID 59717152) has the molecular formula C23H19BrN4O3 and a molecular weight of 479.33 g/mol. Its IUPAC name is 5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione
PubChem CID59717152
Molecular FormulaC23H19BrN4O3
Molecular Weight479.33 g/mol
Exact Mass478.06
IUPAC Name5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(Nc2ccccc2)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(Br)cc3)c2cc1=O
InChIInChI=1S/C23H19BrN4O3/c1-26-19(29)13-18-20(21(26)25-15-5-3-2-4-6-15)22(30)28(17-11-12-17)23(31)27(18)16-9-7-14(24)8-10-16/h2-10,13,17,25H,11-12H2,1H3
InChIKeyCMZHSADTGLZGBQ-UHFFFAOYSA-N
XLogP3.69
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione (CID 59717152) is 5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione is Cn1c(Nc2ccccc2)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(Br)cc3)c2cc1=O.
What is the InChIKey of 5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione?
The InChIKey is CMZHSADTGLZGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O3/c1-26-19(29)13-18-20(21(26)25-15-5-3-2-4-6-15)22(30)28(17-11-12-17)23(31)27(18)16-9-7-14(24)8-10-16/h2-10,13,17,25H,11-12H2,1H3.
What are the key properties of 5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione?
5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione has a molecular weight of 479.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-1-(4-bromophenyl)-3-cyclopropyl-6-methylpyrido[4,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 59717152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).