2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C22H27N5O — CID 132557093

IUPAC2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N(C)c2cc(C)cc(C)c2)nc(N(C)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C22H27N5O/c1-14-8-15(2)11-18(10-14)26(5)20-23-21(25-22(24-20)28-7)27(6)19-12-16(3)9-17(4)13-19/h8-13H,1-7H3
InChIKeyTUFPQRVASYWWLD-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.65
Rot. Bonds5

About 2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 132557093) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID132557093
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N(C)c2cc(C)cc(C)c2)nc(N(C)c2cc(C)cc(C)c2)n1
InChIInChI=1S/C22H27N5O/c1-14-8-15(2)11-18(10-14)26(5)20-23-21(25-22(24-20)28-7)27(6)19-12-16(3)9-17(4)13-19/h8-13H,1-7H3
InChIKeyTUFPQRVASYWWLD-UHFFFAOYSA-N
XLogP4.65
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 132557093) is 2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is COc1nc(N(C)c2cc(C)cc(C)c2)nc(N(C)c2cc(C)cc(C)c2)n1.
What is the InChIKey of 2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is TUFPQRVASYWWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14-8-15(2)11-18(10-14)26(5)20-23-21(25-22(24-20)28-7)27(6)19-12-16(3)9-17(4)13-19/h8-13H,1-7H3.
What are the key properties of 2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 377.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3,5-dimethylphenyl)-6-methoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 132557093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).