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

C17H27N5O — CID 118045119

IUPACN-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESC(CNc1nc(C2CC2)nc(N2CCOCC2)n1)CC1CCC1
InChIInChI=1S/C17H27N5O/c1-3-13(4-1)5-2-8-18-16-19-15(14-6-7-14)20-17(21-16)22-9-11-23-12-10-22/h13-14H,1-12H2,(H,18,19,20,21)
InChIKeyOIQQONJDLZUHCC-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.58
Rot. Bonds7

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

N-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 118045119) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID118045119
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESC(CNc1nc(C2CC2)nc(N2CCOCC2)n1)CC1CCC1
InChIInChI=1S/C17H27N5O/c1-3-13(4-1)5-2-8-18-16-19-15(14-6-7-14)20-17(21-16)22-9-11-23-12-10-22/h13-14H,1-12H2,(H,18,19,20,21)
InChIKeyOIQQONJDLZUHCC-UHFFFAOYSA-N
XLogP2.58
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

N-Cyclopropyl-4-(2-methylcyclopropyl)-6-(morpholin-4-yl)-1,3,5-triazin-2(1H)-imine--hydrogen chloride (1/1)
CID 3073362
1,3,5-Triazin-2-amine, 4-cyclobutyl-N-cyclopropyl-6-(4-morpholinyl)-
CID 3073366
1,3,5-Triazin-2-amine, 4-cyclopentyl-N-cyclopropyl-6-(4-morpholinyl)-, monohydrochloride
CID 3073352
N-cyclopropyl-4-(2-methylcyclopropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 3073363
4-cyclopentyl-N-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 3073353
6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 22070337
6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 67592814
N-cyclopropyl-4-(2-ethylcyclopropyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 67593970
4-(Cyclohexylmethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 69716417
N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 118045121
4-[4-Propan-2-yl-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazin-2-yl]morpholine
CID 142919522
4-Cyclopentyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 9992258

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 118045119) is N-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is C(CNc1nc(C2CC2)nc(N2CCOCC2)n1)CC1CCC1.
What is the InChIKey of N-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is OIQQONJDLZUHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-3-13(4-1)5-2-8-18-16-19-15(14-6-7-14)20-17(21-16)22-9-11-23-12-10-22/h13-14H,1-12H2,(H,18,19,20,21).
What are the key properties of N-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-(3-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, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 118045119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).