[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone

C20H21N5O — CID 125012241

IUPAC[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESCc1nc(-c2ncc(C)[nH]2)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C20H21N5O/c1-13-11-21-19(22-13)18-10-17(23-14(2)24-18)16-8-9-25(12-16)20(26)15-6-4-3-5-7-15/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyVVZLCAXXDVAMQN-MRXNPFEDSA-N
MW347.42 g/mol
LogP3.11
Rot. Bonds3

About [(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone

[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 125012241) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID125012241
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESCc1nc(-c2ncc(C)[nH]2)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C20H21N5O/c1-13-11-21-19(22-13)18-10-17(23-14(2)24-18)16-8-9-25(12-16)20(26)15-6-4-3-5-7-15/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyVVZLCAXXDVAMQN-MRXNPFEDSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 110110902
[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110131923
2-(4-fluorophenyl)-1-[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110110349
[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124949743
[(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone
CID 124996159
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
CID 110109889
[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 125022364
4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 124945248
[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 46851350
3-[2-methyl-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]pyrimidin-4-yl]benzoic acid
CID 125014260
2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine
CID 125012503
1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 124949020

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone (CID 125012241) is [(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone is Cc1nc(-c2ncc(C)[nH]2)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1.
What is the InChIKey of [(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is VVZLCAXXDVAMQN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-11-21-19(22-13)18-10-17(23-14(2)24-18)16-8-9-25(12-16)20(26)15-6-4-3-5-7-15/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of [(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone?
[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 347.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 125012241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).