[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone

C21H27N3O2 — CID 121497442

IUPAC[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
SMILESCCCc1cnc(C)nc1-c1cccc(C(=O)N2CCC[C@H]2COC)c1
InChIInChI=1S/C21H27N3O2/c1-4-7-18-13-22-15(2)23-20(18)16-8-5-9-17(12-16)21(25)24-11-6-10-19(24)14-26-3/h5,8-9,12-13,19H,4,6-7,10-11,14H2,1-3H3/t19-/m0/s1
InChIKeyMEJYTIGFQLSKOA-IBGZPJMESA-N
MW353.47 g/mol
LogP3.66
Rot. Bonds6

About [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone

[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone (PubChem CID 121497442) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
PubChem CID121497442
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
SMILESCCCc1cnc(C)nc1-c1cccc(C(=O)N2CCC[C@H]2COC)c1
InChIInChI=1S/C21H27N3O2/c1-4-7-18-13-22-15(2)23-20(18)16-8-5-9-17(12-16)21(25)24-11-6-10-19(24)14-26-3/h5,8-9,12-13,19H,4,6-7,10-11,14H2,1-3H3/t19-/m0/s1
InChIKeyMEJYTIGFQLSKOA-IBGZPJMESA-N
XLogP3.66
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone with MolForge

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Related Compounds

[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
CID 126431087
[2-(methoxymethyl)pyrrolidin-1-yl]-[3-(5-methoxy-3-pyridinyl)phenyl]methanone
CID 156607723
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methylsulfanylphenyl)phenyl]methanone
CID 118779278
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone
CID 141275744
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 119633701
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(4-pyrimidin-5-ylphenyl)methanone
CID 118775706
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid
CID 141091395
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid;hydrochloride
CID 141091394
[4-(6-aminopyrimidin-4-yl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 119059801
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 56912025

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone?
The IUPAC name of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone (CID 121497442) is [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone?
The canonical SMILES for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone is CCCc1cnc(C)nc1-c1cccc(C(=O)N2CCC[C@H]2COC)c1.
What is the InChIKey of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone?
The InChIKey is MEJYTIGFQLSKOA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-7-18-13-22-15(2)23-20(18)16-8-5-9-17(12-16)21(25)24-11-6-10-19(24)14-26-3/h5,8-9,12-13,19H,4,6-7,10-11,14H2,1-3H3/t19-/m0/s1.
What are the key properties of [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone?
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone has a molecular weight of 353.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone is sourced from PubChem (CID 121497442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).