(2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

C13H19N3O2 — CID 72839890

IUPAC(2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC[C@H]2COC)cn1
InChIInChI=1S/C13H19N3O2/c1-3-12-14-7-10(8-15-12)13(17)16-6-4-5-11(16)9-18-2/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyREXWJPNSUVPKOV-NSHDSACASA-N
MW249.31 g/mol
LogP1.29
Rot. Bonds4

About (2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

(2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 72839890) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID72839890
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCC[C@H]2COC)cn1
InChIInChI=1S/C13H19N3O2/c1-3-12-14-7-10(8-15-12)13(17)16-6-4-5-11(16)9-18-2/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeyREXWJPNSUVPKOV-NSHDSACASA-N
XLogP1.29
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 72839890) is (2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is CCc1ncc(C(=O)N2CCC[C@H]2COC)cn1.
What is the InChIKey of (2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is REXWJPNSUVPKOV-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-12-14-7-10(8-15-12)13(17)16-6-4-5-11(16)9-18-2/h7-8,11H,3-6,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
(2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 249.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrimidin-5-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 72839890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).