6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione

C24H30N4O2 — CID 58578847

IUPAC6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCc1ccc(Cn2c(Nc3ccc(C(C)(C)C)cc3)nc(=O)n(C(C)C)c2=O)cc1
InChIInChI=1S/C24H30N4O2/c1-16(2)28-22(29)26-21(25-20-13-11-19(12-14-20)24(4,5)6)27(23(28)30)15-18-9-7-17(3)8-10-18/h7-14,16H,15H2,1-6H3,(H,25,26,29)
InChIKeyONLBZWCNIADNDN-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.38
Rot. Bonds5

About 6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione

6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione (PubChem CID 58578847) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
PubChem CID58578847
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione
SMILESCc1ccc(Cn2c(Nc3ccc(C(C)(C)C)cc3)nc(=O)n(C(C)C)c2=O)cc1
InChIInChI=1S/C24H30N4O2/c1-16(2)28-22(29)26-21(25-20-13-11-19(12-14-20)24(4,5)6)27(23(28)30)15-18-9-7-17(3)8-10-18/h7-14,16H,15H2,1-6H3,(H,25,26,29)
InChIKeyONLBZWCNIADNDN-UHFFFAOYSA-N
XLogP4.38
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione (CID 58578847) is 6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione is Cc1ccc(Cn2c(Nc3ccc(C(C)(C)C)cc3)nc(=O)n(C(C)C)c2=O)cc1.
What is the InChIKey of 6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
The InChIKey is ONLBZWCNIADNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-16(2)28-22(29)26-21(25-20-13-11-19(12-14-20)24(4,5)6)27(23(28)30)15-18-9-7-17(3)8-10-18/h7-14,16H,15H2,1-6H3,(H,25,26,29).
What are the key properties of 6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione?
6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione has a molecular weight of 406.53 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylanilino)-1-[(4-methylphenyl)methyl]-3-propan-2-yl-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 58578847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).