1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C19H23N5O2 — CID 129010578

IUPAC1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(COc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)cc1
InChIInChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)14-6-10-16(11-7-14)26-12-13-4-8-15(25-3)9-5-13/h4-11H,12H2,1-3H3,(H4,20,21,22,23)
InChIKeyYMEXKPKHNQEBJS-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.46
Rot. Bonds5

About 1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 129010578) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID129010578
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(COc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)cc1
InChIInChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)14-6-10-16(11-7-14)26-12-13-4-8-15(25-3)9-5-13/h4-11H,12H2,1-3H3,(H4,20,21,22,23)
InChIKeyYMEXKPKHNQEBJS-UHFFFAOYSA-N
XLogP2.46
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 129010578) is 1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccc(COc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)cc1.
What is the InChIKey of 1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YMEXKPKHNQEBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)14-6-10-16(11-7-14)26-12-13-4-8-15(25-3)9-5-13/h4-11H,12H2,1-3H3,(H4,20,21,22,23).
What are the key properties of 1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 353.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methoxyphenyl)methoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129010578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).