2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol

C13H22ClN5O2 — CID 62864883

IUPAC2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22ClN5O2/c1-3-13(4-2,9-20)18-11-15-10(14)16-12(17-11)19-5-7-21-8-6-19/h20H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyDVCISJHTVWGEKK-UHFFFAOYSA-N
MW315.81 g/mol
LogP1.32
Rot. Bonds6

About 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol

2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol (PubChem CID 62864883) has the molecular formula C13H22ClN5O2 and a molecular weight of 315.81 g/mol. Its IUPAC name is 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
PubChem CID62864883
Molecular FormulaC13H22ClN5O2
Molecular Weight315.81 g/mol
Exact Mass315.15
IUPAC Name2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22ClN5O2/c1-3-13(4-2,9-20)18-11-15-10(14)16-12(17-11)19-5-7-21-8-6-19/h20H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyDVCISJHTVWGEKK-UHFFFAOYSA-N
XLogP1.32
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol (CID 62864883) is 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
The InChIKey is DVCISJHTVWGEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O2/c1-3-13(4-2,9-20)18-11-15-10(14)16-12(17-11)19-5-7-21-8-6-19/h20H,3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol?
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 315.81 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62864883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).