[(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol

C14H22ClN5O3 — CID 137453994

IUPAC[(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol
SMILESCC1(C)COCCN1c1nc(Cl)nc(N2CCOC[C@H]2CO)n1
InChIInChI=1S/C14H22ClN5O3/c1-14(2)9-23-6-4-20(14)13-17-11(15)16-12(18-13)19-3-5-22-8-10(19)7-21/h10,21H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyBOLMPWZVNDDCAI-SNVBAGLBSA-N
MW343.82 g/mol
LogP0.34
Rot. Bonds3

About [(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol

[(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol (PubChem CID 137453994) has the molecular formula C14H22ClN5O3 and a molecular weight of 343.82 g/mol. Its IUPAC name is [(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol
PubChem CID137453994
Molecular FormulaC14H22ClN5O3
Molecular Weight343.82 g/mol
Exact Mass343.14
IUPAC Name[(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol
SMILESCC1(C)COCCN1c1nc(Cl)nc(N2CCOC[C@H]2CO)n1
InChIInChI=1S/C14H22ClN5O3/c1-14(2)9-23-6-4-20(14)13-17-11(15)16-12(18-13)19-3-5-22-8-10(19)7-21/h10,21H,3-9H2,1-2H3/t10-/m1/s1
InChIKeyBOLMPWZVNDDCAI-SNVBAGLBSA-N
XLogP0.34
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol with MolForge

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Related Compounds

4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3,3-dimethylmorpholine
CID 137453790
4-chloro-6-(3,3-dimethylmorpholin-4-yl)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62863215
4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine
CID 137453759
(3R)-4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-propylmorpholine
CID 139505136
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
[(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol
CID 87758454
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864402
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864577
[4-(2-chlorophenyl)morpholin-3-yl]methanol
CID 117009212
(3R)-4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-3-methylmorpholine
CID 138660464
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83103129
[4-(4-methoxyphenyl)morpholin-3-yl]methanol
CID 117009227

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol?
The IUPAC name of [(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol (CID 137453994) is [(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol.
What is the SMILES notation for [(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol?
The canonical SMILES for [(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol is CC1(C)COCCN1c1nc(Cl)nc(N2CCOC[C@H]2CO)n1.
What is the InChIKey of [(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol?
The InChIKey is BOLMPWZVNDDCAI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22ClN5O3/c1-14(2)9-23-6-4-20(14)13-17-11(15)16-12(18-13)19-3-5-22-8-10(19)7-21/h10,21H,3-9H2,1-2H3/t10-/m1/s1.
What are the key properties of [(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol?
[(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol has a molecular weight of 343.82 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[4-chloro-6-(3,3-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]morpholin-3-yl]methanol is sourced from PubChem (CID 137453994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).