[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone

C22H27N3O3 — CID 95844097

IUPAC[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1cc(Oc2ccccc2C)nc([C@H]2CCCN2C(=O)C2CCOCC2)n1
InChIInChI=1S/C22H27N3O3/c1-15-6-3-4-8-19(15)28-20-14-16(2)23-21(24-20)18-7-5-11-25(18)22(26)17-9-12-27-13-10-17/h3-4,6,8,14,17-18H,5,7,9-13H2,1-2H3/t18-/m1/s1
InChIKeySJSZCPNZYJGQNM-GOSISDBHSA-N
MW381.48 g/mol
LogP3.98
Rot. Bonds4

About [(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone

[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 95844097) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is [(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID95844097
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1cc(Oc2ccccc2C)nc([C@H]2CCCN2C(=O)C2CCOCC2)n1
InChIInChI=1S/C22H27N3O3/c1-15-6-3-4-8-19(15)28-20-14-16(2)23-21(24-20)18-7-5-11-25(18)22(26)17-9-12-27-13-10-17/h3-4,6,8,14,17-18H,5,7,9-13H2,1-2H3/t18-/m1/s1
InChIKeySJSZCPNZYJGQNM-GOSISDBHSA-N
XLogP3.98
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95843955
1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110270243
cyclopropyl-[(2R)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 95843562
2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 110256239
1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110270143
(1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110270227
[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 125016518
1-[(2S)-2-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95843343
cyclopropyl-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822243
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid
CID 110258410
N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110256556
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95829883

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 95844097) is [(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone is Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN2C(=O)C2CCOCC2)n1.
What is the InChIKey of [(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is SJSZCPNZYJGQNM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-6-3-4-8-19(15)28-20-14-16(2)23-21(24-20)18-7-5-11-25(18)22(26)17-9-12-27-13-10-17/h3-4,6,8,14,17-18H,5,7,9-13H2,1-2H3/t18-/m1/s1.
What are the key properties of [(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone?
[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 381.48 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 95844097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).