4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine

C19H28N6O — CID 155542321

IUPAC4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine
SMILESCc1ccc(C(C)C)c(OCc2nc(N)nc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C19H28N6O/c1-13(2)15-6-5-14(3)11-16(15)26-12-17-21-18(20)23-19(22-17)25-9-7-24(4)8-10-25/h5-6,11,13H,7-10,12H2,1-4H3,(H2,20,21,22,23)
InChIKeyVBMVDBKXTONKNR-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.22
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine

4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine (PubChem CID 155542321) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine
PubChem CID155542321
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine
SMILESCc1ccc(C(C)C)c(OCc2nc(N)nc(N3CCN(C)CC3)n2)c1
InChIInChI=1S/C19H28N6O/c1-13(2)15-6-5-14(3)11-16(15)26-12-17-21-18(20)23-19(22-17)25-9-7-24(4)8-10-25/h5-6,11,13H,7-10,12H2,1-4H3,(H2,20,21,22,23)
InChIKeyVBMVDBKXTONKNR-UHFFFAOYSA-N
XLogP2.22
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine (CID 155542321) is 4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine is Cc1ccc(C(C)C)c(OCc2nc(N)nc(N3CCN(C)CC3)n2)c1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine?
The InChIKey is VBMVDBKXTONKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13(2)15-6-5-14(3)11-16(15)26-12-17-21-18(20)23-19(22-17)25-9-7-24(4)8-10-25/h5-6,11,13H,7-10,12H2,1-4H3,(H2,20,21,22,23).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine?
4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine has a molecular weight of 356.47 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 155542321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).