4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine

C20H22FN5O — CID 95844012

IUPAC4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
SMILESCc1cc(Oc2ccccc2F)nc([C@H]2CCN(Cc3nccn3C)C2)n1
InChIInChI=1S/C20H22FN5O/c1-14-11-19(27-17-6-4-3-5-16(17)21)24-20(23-14)15-7-9-26(12-15)13-18-22-8-10-25(18)2/h3-6,8,10-11,15H,7,9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyBEVVJDRBGXGWJG-HNNXBMFYSA-N
MW367.43 g/mol
LogP3.44
Rot. Bonds5

About 4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine

4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine (PubChem CID 95844012) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
PubChem CID95844012
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
SMILESCc1cc(Oc2ccccc2F)nc([C@H]2CCN(Cc3nccn3C)C2)n1
InChIInChI=1S/C20H22FN5O/c1-14-11-19(27-17-6-4-3-5-16(17)21)24-20(23-14)15-7-9-26(12-15)13-18-22-8-10-25(18)2/h3-6,8,10-11,15H,7,9,12-13H2,1-2H3/t15-/m0/s1
InChIKeyBEVVJDRBGXGWJG-HNNXBMFYSA-N
XLogP3.44
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenoxy)-6-methyl-2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 95844005
1-[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95843653
1-[3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270129
2-(dimethylamino)-1-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95844083
4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine
CID 175662265
cyclopropyl-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822243
[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95844319
(6-amino-3-pyridinyl)-[3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110270372
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 175657255
4-(2-fluorophenoxy)-6-methyl-2-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95844253
2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid
CID 110258410

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine?
The IUPAC name of 4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine (CID 95844012) is 4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine.
What is the SMILES notation for 4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine?
The canonical SMILES for 4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine is Cc1cc(Oc2ccccc2F)nc([C@H]2CCN(Cc3nccn3C)C2)n1.
What is the InChIKey of 4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine?
The InChIKey is BEVVJDRBGXGWJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14-11-19(27-17-6-4-3-5-16(17)21)24-20(23-14)15-7-9-26(12-15)13-18-22-8-10-25(18)2/h3-6,8,10-11,15H,7,9,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine?
4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine has a molecular weight of 367.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-6-methyl-2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine is sourced from PubChem (CID 95844012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).