(3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine

C14H22ClN5O2 — CID 137453767

IUPAC(3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc(N2[C@H](C)COC[C@@H]2C)n1
InChIInChI=1S/C14H22ClN5O2/c1-9-6-21-5-4-19(9)13-16-12(15)17-14(18-13)20-10(2)7-22-8-11(20)3/h9-11H,4-8H2,1-3H3/t9-,10-,11+/m1/s1
InChIKeyAUCBDCHFHNHUQK-MXWKQRLJSA-N
MW327.82 g/mol
LogP1.36
Rot. Bonds2

About (3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine

(3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine (PubChem CID 137453767) has the molecular formula C14H22ClN5O2 and a molecular weight of 327.82 g/mol. Its IUPAC name is (3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine.

Molecular Properties

Compound Name(3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine
PubChem CID137453767
Molecular FormulaC14H22ClN5O2
Molecular Weight327.82 g/mol
Exact Mass327.15
IUPAC Name(3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine
SMILESC[C@@H]1COCCN1c1nc(Cl)nc(N2[C@H](C)COC[C@@H]2C)n1
InChIInChI=1S/C14H22ClN5O2/c1-9-6-21-5-4-19(9)13-16-12(15)17-14(18-13)20-10(2)7-22-8-11(20)3/h9-11H,4-8H2,1-3H3/t9-,10-,11+/m1/s1
InChIKeyAUCBDCHFHNHUQK-MXWKQRLJSA-N
XLogP1.36
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine?
The IUPAC name of (3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine (CID 137453767) is (3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine.
What is the SMILES notation for (3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine?
The canonical SMILES for (3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine is C[C@@H]1COCCN1c1nc(Cl)nc(N2[C@H](C)COC[C@@H]2C)n1.
What is the InChIKey of (3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine?
The InChIKey is AUCBDCHFHNHUQK-MXWKQRLJSA-N. The full InChI is InChI=1S/C14H22ClN5O2/c1-9-6-21-5-4-19(9)13-16-12(15)17-14(18-13)20-10(2)7-22-8-11(20)3/h9-11H,4-8H2,1-3H3/t9-,10-,11+/m1/s1.
What are the key properties of (3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine?
(3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine has a molecular weight of 327.82 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,5-dimethylmorpholine is sourced from PubChem (CID 137453767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).