4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine

C14H18N4O2 — CID 692799

IUPAC4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(C(C)C)cc2)nc(OC)n1
InChIInChI=1S/C14H18N4O2/c1-9(2)10-5-7-11(8-6-10)15-12-16-13(19-3)18-14(17-12)20-4/h5-9H,1-4H3,(H,15,16,17,18)
InChIKeyHWMLVDDPYXCXLQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.76
Rot. Bonds5

About 4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine

4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine (PubChem CID 692799) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
PubChem CID692799
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(C(C)C)cc2)nc(OC)n1
InChIInChI=1S/C14H18N4O2/c1-9(2)10-5-7-11(8-6-10)15-12-16-13(19-3)18-14(17-12)20-4/h5-9H,1-4H3,(H,15,16,17,18)
InChIKeyHWMLVDDPYXCXLQ-UHFFFAOYSA-N
XLogP2.76
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Stk064997
CID 778562
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
4,6-Dichloro-N-(4-(1-methylethyl)phenyl)-1,3,5-triazin-2-amine
CID 3121122
N2,N2-dimethyl-N4-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
CID 71584599
(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 784146
2-[4-Chloro-6-(4-isopropyl-phenylamino)-[1,3,5]triazin-2-ylamino]-ethanol
CID 3129759
N-(3,4-dimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 757465
6-chloro-N-cyclohexyl-N'-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 704774
4,6-diethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35025
N-p-Tolyl-[1,3,5]triazine-2,4-diamine
CID 704967
4,6-dimethoxy-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 329167
N-[4-(3-Nitrooxy-propyl)-phenyl]-[1,3,5]triazine-2,4,6-triamine
CID 44276806

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine (CID 692799) is 4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine is COc1nc(Nc2ccc(C(C)C)cc2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is HWMLVDDPYXCXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)10-5-7-11(8-6-10)15-12-16-13(19-3)18-14(17-12)20-4/h5-9H,1-4H3,(H,15,16,17,18).
What are the key properties of 4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 274.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 692799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).