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

C19H32N4O2 — CID 133412209

IUPAC4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine
SMILESCOCc1cc(N2CC(C)C(N3CCOCC3)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H32N4O2/c1-14-11-23(12-16(14)22-6-8-25-9-7-22)17-10-15(13-24-5)20-18(21-17)19(2,3)4/h10,14,16H,6-9,11-13H2,1-5H3
InChIKeyGONUOIAMPVCYDA-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.08
Rot. Bonds4

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

4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine (PubChem CID 133412209) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine
PubChem CID133412209
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine
SMILESCOCc1cc(N2CC(C)C(N3CCOCC3)C2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H32N4O2/c1-14-11-23(12-16(14)22-6-8-25-9-7-22)17-10-15(13-24-5)20-18(21-17)19(2,3)4/h10,14,16H,6-9,11-13H2,1-5H3
InChIKeyGONUOIAMPVCYDA-UHFFFAOYSA-N
XLogP2.08
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 133402499
1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-(oxan-4-yl)-1,4-diazepane
CID 133402150
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133402092
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
2-tert-butyl-4-(methoxymethyl)-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 133402488
2-tert-butyl-4-[3-(ethoxymethyl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 75431426
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-2-thiophen-3-ylmorpholine
CID 133412573
4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-3-(2-methylpropyl)morpholine
CID 133412101
1-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 133401089
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine (CID 133412209) is 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine is COCc1cc(N2CC(C)C(N3CCOCC3)C2)nc(C(C)(C)C)n1.
What is the InChIKey of 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine?
The InChIKey is GONUOIAMPVCYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14-11-23(12-16(14)22-6-8-25-9-7-22)17-10-15(13-24-5)20-18(21-17)19(2,3)4/h10,14,16H,6-9,11-13H2,1-5H3.
What are the key properties of 4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine?
4-[1-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]morpholine has a molecular weight of 348.49 g/mol, XLogP of 2.08, 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]-4-methylpyrrolidin-3-yl]morpholine is sourced from PubChem (CID 133412209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).