4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine

C18H31N3O2 — CID 133412101

IUPAC4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine
SMILESCOCc1cc(N2CCOCC2CC(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C18H31N3O2/c1-13(2)9-15-12-23-8-7-21(15)16-10-14(11-22-6)19-17(20-16)18(3,4)5/h10,13,15H,7-9,11-12H2,1-6H3
InChIKeyWCEAQRDTFLETEA-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.17
Rot. Bonds5

About 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine

4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine (PubChem CID 133412101) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine
PubChem CID133412101
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine
SMILESCOCc1cc(N2CCOCC2CC(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C18H31N3O2/c1-13(2)9-15-12-23-8-7-21(15)16-10-14(11-22-6)19-17(20-16)18(3,4)5/h10,13,15H,7-9,11-12H2,1-6H3
InChIKeyWCEAQRDTFLETEA-UHFFFAOYSA-N
XLogP3.17
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133402499
4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine
CID 133412209
2-tert-butyl-6-(3-ethylmorpholin-4-yl)pyrimidin-4-amine
CID 80967084
3-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 133402713
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-(oxan-4-yl)-1,4-diazepane
CID 133402150
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
CID 133401351
2-tert-butyl-4-(methoxymethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 133400462
4-(4-benzyl-2-methylpiperazin-1-yl)-2-tert-butyl-6-(methoxymethyl)pyrimidine
CID 133402121
2-tert-butyl-4-[2-(1H-imidazol-2-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 133412099
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 133401089
2-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]-4-methyl-1,3-thiazole
CID 133400871

Frequently Asked Questions

What is the IUPAC name of 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine?
The IUPAC name of 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine (CID 133412101) is 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine.
What is the SMILES notation for 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine?
The canonical SMILES for 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine is COCc1cc(N2CCOCC2CC(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine?
The InChIKey is WCEAQRDTFLETEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-13(2)9-15-12-23-8-7-21(15)16-10-14(11-22-6)19-17(20-16)18(3,4)5/h10,13,15H,7-9,11-12H2,1-6H3.
What are the key properties of 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine?
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine has a molecular weight of 321.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine is sourced from PubChem (CID 133412101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).