[(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone

C20H21N5O — CID 124996159

IUPAC[(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESCc1cc(-c2ncc(C)[nH]2)nc([C@@H]2CCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C20H21N5O/c1-13-11-16(18-21-12-14(2)23-18)24-19(22-13)17-9-6-10-25(17)20(26)15-7-4-3-5-8-15/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyQREIOALGBGNEMR-KRWDZBQOSA-N
MW347.42 g/mol
LogP3.46
Rot. Bonds3

About [(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone

[(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 124996159) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID124996159
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESCc1cc(-c2ncc(C)[nH]2)nc([C@@H]2CCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C20H21N5O/c1-13-11-16(18-21-12-14(2)23-18)24-19(22-13)17-9-6-10-25(17)20(26)15-7-4-3-5-8-15/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyQREIOALGBGNEMR-KRWDZBQOSA-N
XLogP3.46
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110099604
[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124949743
[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 125012241
phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone
CID 124500188
[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110270750
[2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110110793
[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110099532
[(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 124964204
[(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 124959033
[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2R)-2-[6-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 124985520
[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 125018773
[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 110110902

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone (CID 124996159) is [(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone is Cc1cc(-c2ncc(C)[nH]2)nc([C@@H]2CCCN2C(=O)c2ccccc2)n1.
What is the InChIKey of [(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is QREIOALGBGNEMR-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-11-16(18-21-12-14(2)23-18)24-19(22-13)17-9-6-10-25(17)20(26)15-7-4-3-5-8-15/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of [(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone?
[(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 347.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 124996159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).