2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine

C13H21N3O2 — CID 163258830

IUPAC2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine
SMILESCOc1nccc(CN2CCC(C)(OC)CC2)n1
InChIInChI=1S/C13H21N3O2/c1-13(18-3)5-8-16(9-6-13)10-11-4-7-14-12(15-11)17-2/h4,7H,5-6,8-10H2,1-3H3
InChIKeyXUXYACWXAYVJQS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.49
Rot. Bonds4

About 2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine

2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine (PubChem CID 163258830) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine
PubChem CID163258830
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine
SMILESCOc1nccc(CN2CCC(C)(OC)CC2)n1
InChIInChI=1S/C13H21N3O2/c1-13(18-3)5-8-16(9-6-13)10-11-4-7-14-12(15-11)17-2/h4,7H,5-6,8-10H2,1-3H3
InChIKeyXUXYACWXAYVJQS-UHFFFAOYSA-N
XLogP1.49
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine
CID 163258541
4-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]-2-methoxypyrimidine
CID 136545794
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylpiperidin-4-ol
CID 136522548
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine
CID 112751268
7-methoxy-4-[(2-methoxypyrimidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 136545789
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine
CID 126946963
2-[(2-methoxypyrimidin-4-yl)methyl]-5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931777
4-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methoxypyrimidine
CID 175923931
1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol
CID 130536247
2-methoxy-6-[(4-methoxy-4-phenylpiperidin-1-yl)methyl]pyridine
CID 163317237
1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945790
1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946146

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine (CID 163258830) is 2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine is COc1nccc(CN2CCC(C)(OC)CC2)n1.
What is the InChIKey of 2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine?
The InChIKey is XUXYACWXAYVJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(18-3)5-8-16(9-6-13)10-11-4-7-14-12(15-11)17-2/h4,7H,5-6,8-10H2,1-3H3.
What are the key properties of 2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine?
2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine has a molecular weight of 251.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 163258830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).