3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide

C19H24N4O2 — CID 126854667

IUPAC3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(OC2CCN(C(=O)NCCc3ccccc3)C2)nc(C)n1
InChIInChI=1S/C19H24N4O2/c1-14-12-18(22-15(2)21-14)25-17-9-11-23(13-17)19(24)20-10-8-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,20,24)
InChIKeyGFUGRDZNBJPYQY-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.50
Rot. Bonds5

About 3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide

3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide (PubChem CID 126854667) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
PubChem CID126854667
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
SMILESCc1cc(OC2CCN(C(=O)NCCc3ccccc3)C2)nc(C)n1
InChIInChI=1S/C19H24N4O2/c1-14-12-18(22-15(2)21-14)25-17-9-11-23(13-17)19(24)20-10-8-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,20,24)
InChIKeyGFUGRDZNBJPYQY-UHFFFAOYSA-N
XLogP2.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 164630557
3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
CID 122249689
3-(6-methylpyridazin-3-yl)oxy-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 90638891
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 122258099
benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 121160967
benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
CID 122260418
3-(5-bromopyrimidin-2-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 126850690
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122260530
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122161080

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide (CID 126854667) is 3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide is Cc1cc(OC2CCN(C(=O)NCCc3ccccc3)C2)nc(C)n1.
What is the InChIKey of 3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
The InChIKey is GFUGRDZNBJPYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-12-18(22-15(2)21-14)25-17-9-11-23(13-17)19(24)20-10-8-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13H2,1-2H3,(H,20,24).
What are the key properties of 3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide?
3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126854667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).