4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine

C13H21N3O2 — CID 163258541

IUPAC4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine
SMILESCCC1(OC)CCN(Cc2ccnc(OC)n2)C1
InChIInChI=1S/C13H21N3O2/c1-4-13(18-3)6-8-16(10-13)9-11-5-7-14-12(15-11)17-2/h5,7H,4,6,8-10H2,1-3H3
InChIKeyCEKHDMBWRJGCQR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.49
Rot. Bonds5

About 4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine

4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine (PubChem CID 163258541) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine
PubChem CID163258541
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine
SMILESCCC1(OC)CCN(Cc2ccnc(OC)n2)C1
InChIInChI=1S/C13H21N3O2/c1-4-13(18-3)6-8-16(10-13)9-11-5-7-14-12(15-11)17-2/h5,7H,4,6,8-10H2,1-3H3
InChIKeyCEKHDMBWRJGCQR-UHFFFAOYSA-N
XLogP1.49
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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

2-methoxy-4-[(4-methoxy-4-methylpiperidin-1-yl)methyl]pyrimidine
CID 163258830
4-[[3-methoxy-3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 155992598
4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]pyrimidin-2-amine
CID 112751268
1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol
CID 130536247
7-methoxy-4-[(2-methoxypyrimidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 136545789
4-[[4-[(2,3-difluorophenyl)methyl]piperidin-1-yl]methyl]-2-methoxypyrimidine
CID 136545794
4-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-2-methoxypyrimidine
CID 126946963
4-[(3-ethyl-3-methylpiperazin-1-yl)methyl]-2-methylpyrimidine
CID 64952945
2-[(2-methoxypyrimidin-4-yl)methyl]-5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931777
3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529613
4-[2-(3-fluoroazetidin-1-yl)ethyl]-2-methoxypyrimidine
CID 175923931
(1-benzyl-3-methoxypyrrolidin-3-yl)methanol
CID 19382171

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine?
The IUPAC name of 4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine (CID 163258541) is 4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine.
What is the SMILES notation for 4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine?
The canonical SMILES for 4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine is CCC1(OC)CCN(Cc2ccnc(OC)n2)C1.
What is the InChIKey of 4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine?
The InChIKey is CEKHDMBWRJGCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-13(18-3)6-8-16(10-13)9-11-5-7-14-12(15-11)17-2/h5,7H,4,6,8-10H2,1-3H3.
What are the key properties of 4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine?
4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine has a molecular weight of 251.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-3-methoxypyrrolidin-1-yl)methyl]-2-methoxypyrimidine is sourced from PubChem (CID 163258541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).