4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine

C16H18ClN3O — CID 133406433

IUPAC4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCC(Oc3cccc(Cl)c3)C2)nc(C)n1
InChIInChI=1S/C16H18ClN3O/c1-11-8-16(19-12(2)18-11)20-7-6-15(10-20)21-14-5-3-4-13(17)9-14/h3-5,8-9,15H,6-7,10H2,1-2H3
InChIKeyARPDXDQJQLRXNI-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.40
Rot. Bonds3

About 4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine

4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine (PubChem CID 133406433) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
PubChem CID133406433
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCC(Oc3cccc(Cl)c3)C2)nc(C)n1
InChIInChI=1S/C16H18ClN3O/c1-11-8-16(19-12(2)18-11)20-7-6-15(10-20)21-14-5-3-4-13(17)9-14/h3-5,8-9,15H,6-7,10H2,1-2H3
InChIKeyARPDXDQJQLRXNI-UHFFFAOYSA-N
XLogP3.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133462129
7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133406480
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406496
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133406389
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole
CID 133406479
2-[6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273596
2-tert-butyl-5-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 133406440
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133406355
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406478

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine?
The IUPAC name of 4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine (CID 133406433) is 4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine is Cc1cc(N2CCC(Oc3cccc(Cl)c3)C2)nc(C)n1.
What is the InChIKey of 4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine?
The InChIKey is ARPDXDQJQLRXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-8-16(19-12(2)18-11)20-7-6-15(10-20)21-14-5-3-4-13(17)9-14/h3-5,8-9,15H,6-7,10H2,1-2H3.
What are the key properties of 4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine?
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine has a molecular weight of 303.79 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 133406433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).