(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine

C11H16ClN3O — CID 129367907

IUPAC(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESCc1nc(Cl)cc(N2C[C@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C11H16ClN3O/c1-7-5-15(6-8(2)16-7)11-4-10(12)13-9(3)14-11/h4,7-8H,5-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyDHYMBQRDHIJTBH-YUMQZZPRSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds1

About (2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine

(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine (PubChem CID 129367907) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is (2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine
PubChem CID129367907
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine
SMILESCc1nc(Cl)cc(N2C[C@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C11H16ClN3O/c1-7-5-15(6-8(2)16-7)11-4-10(12)13-9(3)14-11/h4,7-8H,5-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyDHYMBQRDHIJTBH-YUMQZZPRSA-N
XLogP2.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-chloro-2-methylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933937
(2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959793
5-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121205987
(3aS,6aS)-2-(6-chloro-2-methylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129381760
[1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol
CID 121202573
methyl 2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-4-carboxylate
CID 126600693
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
2,6-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)morpholine
CID 4317583
4-(2,6-dimethylpyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379218
[4-(6-ethyl-2-methylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanamine
CID 102938660
4-chloro-2-methyl-6-[3-methyl-4-(3-methyloxetan-3-yl)piperazin-1-yl]pyrimidine
CID 138550061
4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine
CID 62482337

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine (CID 129367907) is (2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine is Cc1nc(Cl)cc(N2C[C@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of (2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine?
The InChIKey is DHYMBQRDHIJTBH-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-5-15(6-8(2)16-7)11-4-10(12)13-9(3)14-11/h4,7-8H,5-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine?
(2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine has a molecular weight of 241.72 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-(6-chloro-2-methylpyrimidin-4-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 129367907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).