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

C12H18ClN3O2 — CID 129484815

IUPAC(6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@@H]1CN(c2ncc(Cl)cn2)CC(C)(C)O1
InChIInChI=1S/C12H18ClN3O2/c1-12(2)8-16(6-10(18-12)7-17-3)11-14-4-9(13)5-15-11/h4-5,10H,6-8H2,1-3H3/t10-/m0/s1
InChIKeyKAECORSAFLRVJK-JTQLQIEISA-N
MW271.75 g/mol
LogP1.76
Rot. Bonds3

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

(6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine (PubChem CID 129484815) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is (6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
PubChem CID129484815
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name(6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@@H]1CN(c2ncc(Cl)cn2)CC(C)(C)O1
InChIInChI=1S/C12H18ClN3O2/c1-12(2)8-16(6-10(18-12)7-17-3)11-14-4-9(13)5-15-11/h4-5,10H,6-8H2,1-3H3/t10-/m0/s1
InChIKeyKAECORSAFLRVJK-JTQLQIEISA-N
XLogP1.76
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of (6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine (CID 129484815) is (6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for (6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for (6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine is COC[C@@H]1CN(c2ncc(Cl)cn2)CC(C)(C)O1.
What is the InChIKey of (6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is KAECORSAFLRVJK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-12(2)8-16(6-10(18-12)7-17-3)11-14-4-9(13)5-15-11/h4-5,10H,6-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine?
(6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 271.75 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(5-chloropyrimidin-2-yl)-6-(methoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 129484815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).