2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide

C18H22N4O2 — CID 110256239

IUPAC2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCc1cc(Oc2ccccc2C)nc(C2CCCN2CC(N)=O)n1
InChIInChI=1S/C18H22N4O2/c1-12-6-3-4-8-15(12)24-17-10-13(2)20-18(21-17)14-7-5-9-22(14)11-16(19)23/h3-4,6,8,10,14H,5,7,9,11H2,1-2H3,(H2,19,23)
InChIKeyAQNKEUCOQXOTJC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds5

About 2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide

2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 110256239) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID110256239
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCc1cc(Oc2ccccc2C)nc(C2CCCN2CC(N)=O)n1
InChIInChI=1S/C18H22N4O2/c1-12-6-3-4-8-15(12)24-17-10-13(2)20-18(21-17)14-7-5-9-22(14)11-16(19)23/h3-4,6,8,10,14H,5,7,9,11H2,1-2H3,(H2,19,23)
InChIKeyAQNKEUCOQXOTJC-UHFFFAOYSA-N
XLogP2.51
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid
CID 110258410
N-[2-[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95843955
[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95844097
1-[2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110270243
2-[(2S)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 124968809
N-[2-[3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110256556
2-[2-[4-methyl-6-[(6-methyl-2-pyridinyl)amino]pyrimidin-2-yl]piperidin-1-yl]acetamide
CID 110270011
1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110270143
2-[(2S)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 124991443
4-(2-fluorophenoxy)-6-methyl-2-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95844253
[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 125003141
[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 125016518

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (CID 110256239) is 2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is Cc1cc(Oc2ccccc2C)nc(C2CCCN2CC(N)=O)n1.
What is the InChIKey of 2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is AQNKEUCOQXOTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-6-3-4-8-15(12)24-17-10-13(2)20-18(21-17)14-7-5-9-22(14)11-16(19)23/h3-4,6,8,10,14H,5,7,9,11H2,1-2H3,(H2,19,23).
What are the key properties of 2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110256239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).