2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine

C18H24N6O — CID 685113

IUPAC2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESc1ccc(Nc2nc(NC3CCCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N6O/c1-2-6-14(7-3-1)19-16-21-17(20-15-8-4-5-9-15)23-18(22-16)24-10-12-25-13-11-24/h1-3,6-7,15H,4-5,8-13H2,(H2,19,20,21,22,23)
InChIKeyBYFHHLZDYHBSEW-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.81
Rot. Bonds5

About 2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine

2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 685113) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID685113
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESc1ccc(Nc2nc(NC3CCCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H24N6O/c1-2-6-14(7-3-1)19-16-21-17(20-15-8-4-5-9-15)23-18(22-16)24-10-12-25-13-11-24/h1-3,6-7,15H,4-5,8-13H2,(H2,19,20,21,22,23)
InChIKeyBYFHHLZDYHBSEW-UHFFFAOYSA-N
XLogP2.81
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 685113) is 2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is c1ccc(Nc2nc(NC3CCCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BYFHHLZDYHBSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-2-6-14(7-3-1)19-16-21-17(20-15-8-4-5-9-15)23-18(22-16)24-10-12-25-13-11-24/h1-3,6-7,15H,4-5,8-13H2,(H2,19,20,21,22,23).
What are the key properties of 2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 340.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 685113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).