N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C17H27N5O — CID 118045121

IUPACN-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCC(Nc1nc(C2CC2)nc(N2CCOCC2)n1)C1CCC1
InChIInChI=1S/C17H27N5O/c1-2-14(12-4-3-5-12)18-16-19-15(13-6-7-13)20-17(21-16)22-8-10-23-11-9-22/h12-14H,2-11H2,1H3,(H,18,19,20,21)
InChIKeyYYAMTXQYCXTYLN-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.58
Rot. Bonds6

About N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 118045121) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID118045121
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCC(Nc1nc(C2CC2)nc(N2CCOCC2)n1)C1CCC1
InChIInChI=1S/C17H27N5O/c1-2-14(12-4-3-5-12)18-16-19-15(13-6-7-13)20-17(21-16)22-8-10-23-11-9-22/h12-14H,2-11H2,1H3,(H,18,19,20,21)
InChIKeyYYAMTXQYCXTYLN-UHFFFAOYSA-N
XLogP2.58
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 118045121) is N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is CCC(Nc1nc(C2CC2)nc(N2CCOCC2)n1)C1CCC1.
What is the InChIKey of N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is YYAMTXQYCXTYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-2-14(12-4-3-5-12)18-16-19-15(13-6-7-13)20-17(21-16)22-8-10-23-11-9-22/h12-14H,2-11H2,1H3,(H,18,19,20,21).
What are the key properties of N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 317.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 118045121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).