4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine

C11H16ClN3O — CID 129497002

IUPAC4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCCOC[C@@H]1CCN(c2cc(Cl)ncn2)C1
InChIInChI=1S/C11H16ClN3O/c1-2-16-7-9-3-4-15(6-9)11-5-10(12)13-8-14-11/h5,8-9H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyLMJMWAGWGBMZHK-SECBINFHSA-N
MW241.72 g/mol
LogP1.99
Rot. Bonds4

About 4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine

4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 129497002) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID129497002
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCCOC[C@@H]1CCN(c2cc(Cl)ncn2)C1
InChIInChI=1S/C11H16ClN3O/c1-2-16-7-9-3-4-15(6-9)11-5-10(12)13-8-14-11/h5,8-9H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyLMJMWAGWGBMZHK-SECBINFHSA-N
XLogP1.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
4-chloro-6-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129471026
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399
4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 95137548
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
CID 124832471
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
[6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80918094
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-propoxypyrimidine
CID 66334023
7-chloro-4-[3-(ethoxymethyl)piperidin-1-yl]quinazoline
CID 86949423
1-[[1-(6-chloropyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 14554102
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-propylpyrimidine
CID 80945124

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine (CID 129497002) is 4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine is CCOC[C@@H]1CCN(c2cc(Cl)ncn2)C1.
What is the InChIKey of 4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is LMJMWAGWGBMZHK-SECBINFHSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-16-7-9-3-4-15(6-9)11-5-10(12)13-8-14-11/h5,8-9H,2-4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of 4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine?
4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 241.72 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 129497002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).