4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol

C18H25N7O — CID 142876140

IUPAC4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol
SMILESCc1cc(Nc2nc(NC3CCNCC3)nc(NC3CC3)n2)ccc1O
InChIInChI=1S/C18H25N7O/c1-11-10-14(4-5-15(11)26)22-18-24-16(20-12-2-3-12)23-17(25-18)21-13-6-8-19-9-7-13/h4-5,10,12-13,19,26H,2-3,6-9H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyCCKAUIQZWQXIHP-UHFFFAOYSA-N
MW355.45 g/mol
LogP2.37
Rot. Bonds6

About 4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol

4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol (PubChem CID 142876140) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol.

Molecular Properties

Compound Name4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol
PubChem CID142876140
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol
SMILESCc1cc(Nc2nc(NC3CCNCC3)nc(NC3CC3)n2)ccc1O
InChIInChI=1S/C18H25N7O/c1-11-10-14(4-5-15(11)26)22-18-24-16(20-12-2-3-12)23-17(25-18)21-13-6-8-19-9-7-13/h4-5,10,12-13,19,26H,2-3,6-9H2,1H3,(H3,20,21,22,23,24,25)
InChIKeyCCKAUIQZWQXIHP-UHFFFAOYSA-N
XLogP2.37
TPSA107.02 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 52.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol?
The IUPAC name of 4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol (CID 142876140) is 4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol.
What is the SMILES notation for 4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol?
The canonical SMILES for 4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol is Cc1cc(Nc2nc(NC3CCNCC3)nc(NC3CC3)n2)ccc1O.
What is the InChIKey of 4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol?
The InChIKey is CCKAUIQZWQXIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-11-10-14(4-5-15(11)26)22-18-24-16(20-12-2-3-12)23-17(25-18)21-13-6-8-19-9-7-13/h4-5,10,12-13,19,26H,2-3,6-9H2,1H3,(H3,20,21,22,23,24,25).
What are the key properties of 4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol?
4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol has a molecular weight of 355.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylamino)-6-(piperidin-4-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylphenol is sourced from PubChem (CID 142876140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).