[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C21H21N5O3 — CID 95843599

IUPAC[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1ccc(Oc2cc(C)nc([C@H]3CCCN3C(=O)c3cnccn3)n2)cc1
InChIInChI=1S/C21H21N5O3/c1-14-12-19(29-16-7-5-15(28-2)6-8-16)25-20(24-14)18-4-3-11-26(18)21(27)17-13-22-9-10-23-17/h5-10,12-13,18H,3-4,11H2,1-2H3/t18-/m1/s1
InChIKeyJYUDIOSPKKMKPA-GOSISDBHSA-N
MW391.43 g/mol
LogP3.35
Rot. Bonds5

About [(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95843599) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is [(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95843599
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1ccc(Oc2cc(C)nc([C@H]3CCCN3C(=O)c3cnccn3)n2)cc1
InChIInChI=1S/C21H21N5O3/c1-14-12-19(29-16-7-5-15(28-2)6-8-16)25-20(24-14)18-4-3-11-26(18)21(27)17-13-22-9-10-23-17/h5-10,12-13,18H,3-4,11H2,1-2H3/t18-/m1/s1
InChIKeyJYUDIOSPKKMKPA-GOSISDBHSA-N
XLogP3.35
TPSA90.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

cyclopropyl-[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95843562
1-[(2S)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95843343
2-amino-1-[(2S)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 95844195
[3-(imidazol-1-ylmethyl)phenyl]-[(2S)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 129455816
7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629586
[(2S)-2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 95844232
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
[2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110270298
cyclopropyl-[(3S)-3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822246
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
[3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110270342
[2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110117162

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 95843599) is [(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is COc1ccc(Oc2cc(C)nc([C@H]3CCCN3C(=O)c3cnccn3)n2)cc1.
What is the InChIKey of [(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is JYUDIOSPKKMKPA-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14-12-19(29-16-7-5-15(28-2)6-8-16)25-20(24-14)18-4-3-11-26(18)21(27)17-13-22-9-10-23-17/h5-10,12-13,18H,3-4,11H2,1-2H3/t18-/m1/s1.
What are the key properties of [(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 391.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95843599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).