4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine

C11H16ClN3O — CID 66326377

IUPAC4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine
SMILESCCOc1ncnc(N2CCC(Cl)C2)c1C
InChIInChI=1S/C11H16ClN3O/c1-3-16-11-8(2)10(13-7-14-11)15-5-4-9(12)6-15/h7,9H,3-6H2,1-2H3
InChIKeyCJCTWNCDXVPHRG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.00
Rot. Bonds3

About 4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine

4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine (PubChem CID 66326377) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine.

Molecular Properties

Compound Name4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine
PubChem CID66326377
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine
SMILESCCOc1ncnc(N2CCC(Cl)C2)c1C
InChIInChI=1S/C11H16ClN3O/c1-3-16-11-8(2)10(13-7-14-11)15-5-4-9(12)6-15/h7,9H,3-6H2,1-2H3
InChIKeyCJCTWNCDXVPHRG-UHFFFAOYSA-N
XLogP2.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[4-(chloromethyl)piperidin-1-yl]-6-ethoxy-5-methylpyrimidine
CID 66326378
[1-(6-ethoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66327389
1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 66325534
2-[4-(6-ethoxy-5-methylpyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66434220
1-(6-ethoxy-5-methylpyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369719
3-amino-1-(6-ethoxy-5-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 107325218
4-[2-(bromomethyl)piperidin-1-yl]-6-ethoxy-5-methylpyrimidine
CID 80675882
[1-(6-ethoxy-5-methylpyrimidin-4-yl)-3-methylpiperidin-2-yl]methanamine
CID 66327192
1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 66332963
2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66332132
1-(6-methoxy-5-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 66332559
4-ethoxy-6-(3-methoxypiperidin-1-yl)pyrimidin-5-amine
CID 102955709

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine?
The IUPAC name of 4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine (CID 66326377) is 4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine.
What is the SMILES notation for 4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine?
The canonical SMILES for 4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine is CCOc1ncnc(N2CCC(Cl)C2)c1C.
What is the InChIKey of 4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine?
The InChIKey is CJCTWNCDXVPHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-16-11-8(2)10(13-7-14-11)15-5-4-9(12)6-15/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine?
4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine has a molecular weight of 241.72 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropyrrolidin-1-yl)-6-ethoxy-5-methylpyrimidine is sourced from PubChem (CID 66326377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).