4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine

C14H22ClN3O — CID 80939007

IUPAC4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
SMILESCCCc1nc(Cl)cc(N2CC(C)OC(C)(C)C2)n1
InChIInChI=1S/C14H22ClN3O/c1-5-6-12-16-11(15)7-13(17-12)18-8-10(2)19-14(3,4)9-18/h7,10H,5-6,8-9H2,1-4H3
InChIKeyYLXSIVLQAFQRAR-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.09
Rot. Bonds3

About 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine

4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine (PubChem CID 80939007) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
PubChem CID80939007
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine
SMILESCCCc1nc(Cl)cc(N2CC(C)OC(C)(C)C2)n1
InChIInChI=1S/C14H22ClN3O/c1-5-6-12-16-11(15)7-13(17-12)18-8-10(2)19-14(3,4)9-18/h7,10H,5-6,8-9H2,1-4H3
InChIKeyYLXSIVLQAFQRAR-UHFFFAOYSA-N
XLogP3.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine
CID 63588228
4-chloro-6-(3,4-dimethylpiperazin-1-yl)-2-propylpyrimidine
CID 80945946
(2S,6R)-4-(6-chloro-2-ethylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 104959793
4-N-ethyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-2,4-diamine
CID 80816046
1-[3-chloro-6-(2,2,6-trimethylmorpholin-4-yl)-2-pyridinyl]-N-methylmethanamine
CID 62293419
[6-(2,2,6-trimethylmorpholin-4-yl)pyrazin-2-yl]methanamine
CID 66451628
N-[[5-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114925992
3-(6-chloro-2-propylpyrimidin-4-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 80945238
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine
CID 80945124
2-methylsulfanyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
CID 80816748
[4-(4-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114070637
4-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-2-ethylpyrimidine
CID 80936019

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine?
The IUPAC name of 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine (CID 80939007) is 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine is CCCc1nc(Cl)cc(N2CC(C)OC(C)(C)C2)n1.
What is the InChIKey of 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine?
The InChIKey is YLXSIVLQAFQRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-5-6-12-16-11(15)7-13(17-12)18-8-10(2)19-14(3,4)9-18/h7,10H,5-6,8-9H2,1-4H3.
What are the key properties of 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine?
4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine has a molecular weight of 283.80 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-propylpyrimidin-4-yl)-2,2,6-trimethylmorpholine is sourced from PubChem (CID 80939007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).