4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine

C16H16F3N3O — CID 2988903

IUPAC4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCOc1ccccc1-c1cc(C(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C16H16F3N3O/c1-23-13-7-3-2-6-11(13)12-10-14(16(17,18)19)21-15(20-12)22-8-4-5-9-22/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyQEBSQVHHCCHYHI-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.77
Rot. Bonds3

About 4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine

4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 2988903) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID2988903
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCOc1ccccc1-c1cc(C(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C16H16F3N3O/c1-23-13-7-3-2-6-11(13)12-10-14(16(17,18)19)21-15(20-12)22-8-4-5-9-22/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyQEBSQVHHCCHYHI-UHFFFAOYSA-N
XLogP3.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine (CID 2988903) is 4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine is COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCCC2)n1.
What is the InChIKey of 4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is QEBSQVHHCCHYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-23-13-7-3-2-6-11(13)12-10-14(16(17,18)19)21-15(20-12)22-8-4-5-9-22/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine?
4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 323.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 2988903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).