4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine

C18H30N4O2 — CID 133402499

IUPAC4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
SMILESCOCc1cc(N2CCC(N3CCOCC3)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)17-19-14(13-23-4)11-16(20-17)22-6-5-15(12-22)21-7-9-24-10-8-21/h11,15H,5-10,12-13H2,1-4H3
InChIKeyXPOITRRWXPHPJF-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.83
Rot. Bonds4

About 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine

4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine (PubChem CID 133402499) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
PubChem CID133402499
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
SMILESCOCc1cc(N2CCC(N3CCOCC3)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)17-19-14(13-23-4)11-16(20-17)22-6-5-15(12-22)21-7-9-24-10-8-21/h11,15H,5-10,12-13H2,1-4H3
InChIKeyXPOITRRWXPHPJF-UHFFFAOYSA-N
XLogP1.83
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine
CID 133412209
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-3-yl]azepane
CID 133401629
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
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
1-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidin-2-one
CID 133401351
2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 75431426
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133461297
2-tert-butyl-4-(methoxymethyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 133400462
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine
CID 133412101
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133402092
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine
CID 133412573

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine (CID 133402499) is 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine is COCc1cc(N2CCC(N3CCOCC3)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?
The InChIKey is XPOITRRWXPHPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,3)17-19-14(13-23-4)11-16(20-17)22-6-5-15(12-22)21-7-9-24-10-8-21/h11,15H,5-10,12-13H2,1-4H3.
What are the key properties of 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine?
4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine has a molecular weight of 334.46 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 133402499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).