4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine

C16H19N3O — CID 133310050

IUPAC4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCCC2COc2ccccc2)n1
InChIInChI=1S/C16H19N3O/c1-13-9-10-17-16(18-13)19-11-5-6-14(19)12-20-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3
InChIKeyYCHGSXBOERXJGI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds4

About 4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine

4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 133310050) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID133310050
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCCC2COc2ccccc2)n1
InChIInChI=1S/C16H19N3O/c1-13-9-10-17-16(18-13)19-11-5-6-14(19)12-20-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3
InChIKeyYCHGSXBOERXJGI-UHFFFAOYSA-N
XLogP2.83
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine (CID 133310050) is 4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine is Cc1ccnc(N2CCCC2COc2ccccc2)n1.
What is the InChIKey of 4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is YCHGSXBOERXJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-13-9-10-17-16(18-13)19-11-5-6-14(19)12-20-15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-12H2,1H3.
What are the key properties of 4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine?
4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 269.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 133310050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).