N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C12H19N5O — CID 3073347

IUPACN-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCc1nc(NC2CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19N5O/c1-2-10-14-11(13-9-3-4-9)16-12(15-10)17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H,13,14,15,16)
InChIKeyJNRMWLOSJWHEMT-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.84
Rot. Bonds4

About N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 3073347) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID3073347
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCc1nc(NC2CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19N5O/c1-2-10-14-11(13-9-3-4-9)16-12(15-10)17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H,13,14,15,16)
InChIKeyJNRMWLOSJWHEMT-UHFFFAOYSA-N
XLogP0.84
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 3073347) is N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is CCc1nc(NC2CC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is JNRMWLOSJWHEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-10-14-11(13-9-3-4-9)16-12(15-10)17-5-7-18-8-6-17/h9H,2-8H2,1H3,(H,13,14,15,16).
What are the key properties of N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 249.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3073347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).