6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine

C18H21N5O — CID 10448877

IUPAC6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-8-10-15(11-9-14)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)
InChIKeyHUTXUOTUXFTILM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.45
Rot. Bonds4

About 6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine

6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10448877) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10448877
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-8-10-15(11-9-14)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)
InChIKeyHUTXUOTUXFTILM-UHFFFAOYSA-N
XLogP2.45
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 10448877) is 6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HUTXUOTUXFTILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-8-10-15(11-9-14)24-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22).
What are the key properties of 6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine?
6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(4-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10448877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).