4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine

C15H24ClN3O — CID 80970909

IUPAC4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N1CC(C)OCC1C
InChIInChI=1S/C15H24ClN3O/c1-9-8-20-10(2)7-19(9)13-11(3)12(16)17-14(18-13)15(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeySIROZCNWJKIECQ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.35
Rot. Bonds1

About 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine

4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine (PubChem CID 80970909) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine.

Molecular Properties

Compound Name4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine
PubChem CID80970909
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1N1CC(C)OCC1C
InChIInChI=1S/C15H24ClN3O/c1-9-8-20-10(2)7-19(9)13-11(3)12(16)17-14(18-13)15(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeySIROZCNWJKIECQ-UHFFFAOYSA-N
XLogP3.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-3-methylthiomorpholine
CID 80978725
2-tert-butyl-4-chloro-5-methyl-6-(4-methylpiperidin-1-yl)pyrimidine
CID 80970942
2-tert-butyl-4-chloro-5-methyl-6-(2-propylpiperidin-1-yl)pyrimidine
CID 83046088
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-5-ethyl-2-methylmorpholine
CID 80970469
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)morpholine-2-carbonitrile
CID 80977699
1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963130
6-(2,5-dimethylmorpholin-4-yl)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80986421
6-(2,5-dimethylmorpholin-4-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80993238
6-(2,5-dimethylmorpholin-4-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80993714
2-(2,5-dimethylmorpholin-4-yl)-6-methylpyridin-3-amine
CID 81131827
3,5-dichloro-6-(2,5-dimethylmorpholin-4-yl)-N-propylpyridin-2-amine
CID 102756113
5-chloro-4-(2,5-dimethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 80787331

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine?
The IUPAC name of 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine (CID 80970909) is 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine.
What is the SMILES notation for 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine?
The canonical SMILES for 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine is Cc1c(Cl)nc(C(C)(C)C)nc1N1CC(C)OCC1C.
What is the InChIKey of 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine?
The InChIKey is SIROZCNWJKIECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-9-8-20-10(2)7-19(9)13-11(3)12(16)17-14(18-13)15(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine?
4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine has a molecular weight of 297.83 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-2,5-dimethylmorpholine is sourced from PubChem (CID 80970909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).