4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine

C17H28ClN5O2 — CID 137453759

IUPAC4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine
SMILESCC(C)C1COCCN1c1nc(Cl)nc(N2CCOCC2C(C)C)n1
InChIInChI=1S/C17H28ClN5O2/c1-11(2)13-9-24-7-5-22(13)16-19-15(18)20-17(21-16)23-6-8-25-10-14(23)12(3)4/h11-14H,5-10H2,1-4H3
InChIKeySTOQEEQTSRRQGS-UHFFFAOYSA-N
MW369.90 g/mol
LogP2.25
Rot. Bonds4

About 4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine

4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine (PubChem CID 137453759) has the molecular formula C17H28ClN5O2 and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine
PubChem CID137453759
Molecular FormulaC17H28ClN5O2
Molecular Weight369.90 g/mol
Exact Mass369.19
IUPAC Name4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine
SMILESCC(C)C1COCCN1c1nc(Cl)nc(N2CCOCC2C(C)C)n1
InChIInChI=1S/C17H28ClN5O2/c1-11(2)13-9-24-7-5-22(13)16-19-15(18)20-17(21-16)23-6-8-25-10-14(23)12(3)4/h11-14H,5-10H2,1-4H3
InChIKeySTOQEEQTSRRQGS-UHFFFAOYSA-N
XLogP2.25
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
(3R)-4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-methylmorpholine
CID 138660464
4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine
CID 137453790
3-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-6-oxa-3-azabicyclo[3.1.1]heptane
CID 137453766
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83103129
[(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol
CID 137453994
(3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine
CID 139505136
1-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]ethanesulfonamide
CID 166756211
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)morpholine-3-carboxamide
CID 83098938
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864402
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine?
The IUPAC name of 4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine (CID 137453759) is 4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine.
What is the SMILES notation for 4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine?
The canonical SMILES for 4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine is CC(C)C1COCCN1c1nc(Cl)nc(N2CCOCC2C(C)C)n1.
What is the InChIKey of 4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine?
The InChIKey is STOQEEQTSRRQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN5O2/c1-11(2)13-9-24-7-5-22(13)16-19-15(18)20-17(21-16)23-6-8-25-10-14(23)12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine?
4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine has a molecular weight of 369.90 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine is sourced from PubChem (CID 137453759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).