6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione

C23H24N4O2 — CID 58578548

IUPAC6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCc1ccc(Cn2c(Nc3ccc4c(c3)C=CC4)nc(=O)n(C(C)C)c2=O)cc1
InChIInChI=1S/C23H24N4O2/c1-15(2)27-22(28)25-21(24-20-12-11-18-5-4-6-19(18)13-20)26(23(27)29)14-17-9-7-16(3)8-10-17/h4,6-13,15H,5,14H2,1-3H3,(H,24,25,28)
InChIKeyZUCWIKOJWNUKOD-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.66
Rot. Bonds5

About 6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione

6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione (PubChem CID 58578548) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
PubChem CID58578548
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCc1ccc(Cn2c(Nc3ccc4c(c3)C=CC4)nc(=O)n(C(C)C)c2=O)cc1
InChIInChI=1S/C23H24N4O2/c1-15(2)27-22(28)25-21(24-20-12-11-18-5-4-6-19(18)13-20)26(23(27)29)14-17-9-7-16(3)8-10-17/h4,6-13,15H,5,14H2,1-3H3,(H,24,25,28)
InChIKeyZUCWIKOJWNUKOD-UHFFFAOYSA-N
XLogP3.66
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione (CID 58578548) is 6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione is Cc1ccc(Cn2c(Nc3ccc4c(c3)C=CC4)nc(=O)n(C(C)C)c2=O)cc1.
What is the InChIKey of 6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The InChIKey is ZUCWIKOJWNUKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(2)27-22(28)25-21(24-20-12-11-18-5-4-6-19(18)13-20)26(23(27)29)14-17-9-7-16(3)8-10-17/h4,6-13,15H,5,14H2,1-3H3,(H,24,25,28).
What are the key properties of 6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione has a molecular weight of 388.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-inden-5-ylamino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 58578548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).