6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione

C14H18N4O2 — CID 16654715

IUPAC6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione
SMILESCCCn1c(=O)nc(NCc2ccc(C)cc2)[nH]c1=O
InChIInChI=1S/C14H18N4O2/c1-3-8-18-13(19)16-12(17-14(18)20)15-9-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,15,16,17,19,20)
InChIKeyQSPXZQMLPGSSND-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.26
Rot. Bonds5

About 6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione

6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione (PubChem CID 16654715) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione
PubChem CID16654715
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione
SMILESCCCn1c(=O)nc(NCc2ccc(C)cc2)[nH]c1=O
InChIInChI=1S/C14H18N4O2/c1-3-8-18-13(19)16-12(17-14(18)20)15-9-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,15,16,17,19,20)
InChIKeyQSPXZQMLPGSSND-UHFFFAOYSA-N
XLogP1.26
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[1-[(4-Methylphenyl)methyl]-4,6-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677472
4-(Benzylamino)-6-(dimethylamino)-1,3,5-triazine-2-thiol
CID 976872
1-[(4-Methylphenyl)methyl]-1,3-diazinan-2-one
CID 5076486
4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 118577456
N-cyclohexyl-N'-(4-methylbenzyl)urea
CID 840481
Biuret, 1-benzyl-
CID 48367
3-Benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
1-Benzyl-3-[(4-methylphenyl)methyl]urea
CID 2313118
1-Benzyl-3-[8-(4-imino-2-oxo-1,3,5-triazacyclotridec-1-yl)octyl]guanidine
CID 44225597
4-Ethylimino-6-(4-fluorophenyl)-1,3,5-triazinan-2-one
CID 136728217
4-methyl-N-(4-methylbenzyl)-1-piperazinecarboxamide
CID 851971
N,N'-Bis(phenylmethyl)imidodicarbonic diamide
CID 12708393

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione (CID 16654715) is 6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione is CCCn1c(=O)nc(NCc2ccc(C)cc2)[nH]c1=O.
What is the InChIKey of 6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione?
The InChIKey is QSPXZQMLPGSSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-8-18-13(19)16-12(17-14(18)20)15-9-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,15,16,17,19,20).
What are the key properties of 6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione?
6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methylamino]-3-propyl-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 16654715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).