5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine

C19H25N3O2 — CID 123472594

IUPAC5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine
SMILESCCOc1ccc(-c2c(C)ncnc2N2CCC(OC)C2)c(C)c1
InChIInChI=1S/C19H25N3O2/c1-5-24-15-6-7-17(13(2)10-15)18-14(3)20-12-21-19(18)22-9-8-16(11-22)23-4/h6-7,10,12,16H,5,8-9,11H2,1-4H3
InChIKeyNOSPVEFNZOONAY-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.38
Rot. Bonds5

About 5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine

5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine (PubChem CID 123472594) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine
PubChem CID123472594
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine
SMILESCCOc1ccc(-c2c(C)ncnc2N2CCC(OC)C2)c(C)c1
InChIInChI=1S/C19H25N3O2/c1-5-24-15-6-7-17(13(2)10-15)18-14(3)20-12-21-19(18)22-9-8-16(11-22)23-4/h6-7,10,12,16H,5,8-9,11H2,1-4H3
InChIKeyNOSPVEFNZOONAY-UHFFFAOYSA-N
XLogP3.38
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxy-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 118448880
4-[4-[(3S)-3-fluoropyrrolidin-1-yl]-6-methylpyrimidin-5-yl]-3-methylphenol
CID 130459327
5-(2,4-dimethylphenyl)-4-(3-fluoroazetidin-1-yl)-6-methylpyrimidine
CID 130459243
2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine
CID 143449306
4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine
CID 102955709
4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine
CID 130442551
4-methoxy-6-(3-methoxypyrrolidin-1-yl)pyrimidin-5-amine
CID 103530461
4-chloro-6-(3-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 102963245
2-(3-methoxypyrrolidin-1-yl)-5-methylpyridin-4-amine
CID 103530467
6-(3-methoxypiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 102971615
4-(3-methoxypiperidin-1-yl)-6-propoxypyrimidin-5-amine
CID 102955766
4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 126855030

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine?
The IUPAC name of 5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine (CID 123472594) is 5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine.
What is the SMILES notation for 5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine?
The canonical SMILES for 5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine is CCOc1ccc(-c2c(C)ncnc2N2CCC(OC)C2)c(C)c1.
What is the InChIKey of 5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine?
The InChIKey is NOSPVEFNZOONAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-5-24-15-6-7-17(13(2)10-15)18-14(3)20-12-21-19(18)22-9-8-16(11-22)23-4/h6-7,10,12,16H,5,8-9,11H2,1-4H3.
What are the key properties of 5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine?
5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine has a molecular weight of 327.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2-methylphenyl)-4-(3-methoxypyrrolidin-1-yl)-6-methylpyrimidine is sourced from PubChem (CID 123472594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).