4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C17H22N6O — CID 24747212

IUPAC4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N6O/c1-2-6-14(7-3-1)18-15-19-16(22-8-4-5-9-22)21-17(20-15)23-10-12-24-13-11-23/h1-3,6-7H,4-5,8-13H2,(H,18,19,20,21)
InChIKeyHOTPJJJHRXWYFY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.05
Rot. Bonds4

About 4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 24747212) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID24747212
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N6O/c1-2-6-14(7-3-1)18-15-19-16(22-8-4-5-9-22)21-17(20-15)23-10-12-24-13-11-23/h1-3,6-7H,4-5,8-13H2,(H,18,19,20,21)
InChIKeyHOTPJJJHRXWYFY-UHFFFAOYSA-N
XLogP2.05
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 24747212) is 4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is c1ccc(Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is HOTPJJJHRXWYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-2-6-14(7-3-1)18-15-19-16(22-8-4-5-9-22)21-17(20-15)23-10-12-24-13-11-23/h1-3,6-7H,4-5,8-13H2,(H,18,19,20,21).
What are the key properties of 4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 326.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 24747212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).