(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine

C10H14ClN3O — CID 124761431

IUPAC(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2ncc(Cl)cn2)C[C@H](C)O1
InChIInChI=1S/C10H14ClN3O/c1-7-5-14(6-8(2)15-7)10-12-3-9(11)4-13-10/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyZHOKATLRXNWADK-OCAPTIKFSA-N
MW227.69 g/mol
LogP1.74
Rot. Bonds1

About (2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine

(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine (PubChem CID 124761431) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is (2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
PubChem CID124761431
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2ncc(Cl)cn2)C[C@H](C)O1
InChIInChI=1S/C10H14ClN3O/c1-7-5-14(6-8(2)15-7)10-12-3-9(11)4-13-10/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyZHOKATLRXNWADK-OCAPTIKFSA-N
XLogP1.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]methanamine
CID 104959418
4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338581
5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 126993949
4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine
CID 151651252
(2R,6S)-4-(5-bromo-4-methoxypyrimidin-2-yl)-2,6-dimethylmorpholine
CID 69088090
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 102933302
(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
CID 26368895
[3-(5-chloropyrimidin-2-yl)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 137335242
2-(chloromethyl)-6-methyl-4-thieno[2,3-d]pyrimidin-2-ylmorpholine
CID 114273516
5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 126853062
5-chloro-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]pyrimidin-2-amine
CID 97093099
1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine (CID 124761431) is (2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine is C[C@@H]1CN(c2ncc(Cl)cn2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine?
The InChIKey is ZHOKATLRXNWADK-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-5-14(6-8(2)15-7)10-12-3-9(11)4-13-10/h3-4,7-8H,5-6H2,1-2H3/t7-,8+.
What are the key properties of (2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine?
(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine has a molecular weight of 227.69 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 124761431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).