4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine

C13H20ClN3O — CID 80954214

IUPAC4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine
SMILESCC1CN(c2cc(Cl)nc(C(C)C)n2)C(C)CO1
InChIInChI=1S/C13H20ClN3O/c1-8(2)13-15-11(14)5-12(16-13)17-6-10(4)18-7-9(17)3/h5,8-10H,6-7H2,1-4H3
InChIKeyLSGFSWRAFLRBRE-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.87
Rot. Bonds2

About 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine

4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine (PubChem CID 80954214) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine
PubChem CID80954214
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine
SMILESCC1CN(c2cc(Cl)nc(C(C)C)n2)C(C)CO1
InChIInChI=1S/C13H20ClN3O/c1-8(2)13-15-11(14)5-12(16-13)17-6-10(4)18-7-9(17)3/h5,8-10H,6-7H2,1-4H3
InChIKeyLSGFSWRAFLRBRE-UHFFFAOYSA-N
XLogP2.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dimethylmorpholin-4-yl)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80967249
4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylmorpholine
CID 102715513
4-chloro-6-(2,3-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine
CID 80951632
[5-methyl-4-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]morpholin-2-yl]methanol
CID 81217243
6-(2,5-dimethylmorpholin-4-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80993238
4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83103056
6-(2,5-dimethylmorpholin-4-yl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80986421
4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine
CID 76806794
1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80951641
1-[6-(2,5-dimethylmorpholin-4-yl)-3-pyridinyl]propan-2-amine
CID 80634198
6-(2,5-dimethylmorpholin-4-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102717555
(2R,5R)-4-(6-bromoquinolin-2-yl)-2,5-dimethylmorpholine
CID 90460659

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine?
The IUPAC name of 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine (CID 80954214) is 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine.
What is the SMILES notation for 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine?
The canonical SMILES for 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine is CC1CN(c2cc(Cl)nc(C(C)C)n2)C(C)CO1.
What is the InChIKey of 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine?
The InChIKey is LSGFSWRAFLRBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-8(2)13-15-11(14)5-12(16-13)17-6-10(4)18-7-9(17)3/h5,8-10H,6-7H2,1-4H3.
What are the key properties of 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine?
4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine has a molecular weight of 269.78 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-2,5-dimethylmorpholine is sourced from PubChem (CID 80954214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).