N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C16H25N7O — CID 6458192

IUPACN-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cc(C)n(-c2nc(NC(C)(C)C)nc(N3CCOCC3)n2)n1
InChIInChI=1S/C16H25N7O/c1-11-10-12(2)23(21-11)15-18-13(20-16(3,4)5)17-14(19-15)22-6-8-24-9-7-22/h10H,6-9H2,1-5H3,(H,17,18,19,20)
InChIKeyHVNDUQCMEFPXBB-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.72
Rot. Bonds3

About N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 6458192) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID6458192
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC NameN-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cc(C)n(-c2nc(NC(C)(C)C)nc(N3CCOCC3)n2)n1
InChIInChI=1S/C16H25N7O/c1-11-10-12(2)23(21-11)15-18-13(20-16(3,4)5)17-14(19-15)22-6-8-24-9-7-22/h10H,6-9H2,1-5H3,(H,17,18,19,20)
InChIKeyHVNDUQCMEFPXBB-UHFFFAOYSA-N
XLogP1.72
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 6458192) is N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1cc(C)n(-c2nc(NC(C)(C)C)nc(N3CCOCC3)n2)n1.
What is the InChIKey of N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is HVNDUQCMEFPXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-11-10-12(2)23(21-11)15-18-13(20-16(3,4)5)17-14(19-15)22-6-8-24-9-7-22/h10H,6-9H2,1-5H3,(H,17,18,19,20).
What are the key properties of N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 331.42 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 6458192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).