2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide

C22H32N4O2 — CID 124983991

IUPAC2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide
SMILESCc1nc([C@@H]2CCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)NC1CCCC1
InChIInChI=1S/C22H32N4O2/c1-14-19(12-20(27)25-18-8-3-4-9-18)15(2)24-21(23-14)17-10-11-26(13-17)22(28)16-6-5-7-16/h16-18H,3-13H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyNHQBRUDYDZTOLO-QGZVFWFLSA-N
MW384.52 g/mol
LogP2.81
Rot. Bonds5

About 2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide

2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide (PubChem CID 124983991) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide
PubChem CID124983991
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide
SMILESCc1nc([C@@H]2CCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)NC1CCCC1
InChIInChI=1S/C22H32N4O2/c1-14-19(12-20(27)25-18-8-3-4-9-18)15(2)24-21(23-14)17-10-11-26(13-17)22(28)16-6-5-7-16/h16-18H,3-13H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyNHQBRUDYDZTOLO-QGZVFWFLSA-N
XLogP2.81
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[2-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110088530
N-cyclohexyl-2-[2-[(3R)-1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124995261
N-cyclohexyl-2-[4,6-dimethyl-2-[(3S)-1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]pyrimidin-5-yl]acetamide
CID 124973262
N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124946965
2-[2-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 110088478
2-[2-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-(2-fluorophenyl)acetamide
CID 125022057
N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124987605
N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125021463
2-[2-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 125021014
N-ethyl-2-[2-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110088482
N-cyclopropyl-2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
CID 110083297
N-cyclohexyl-2-[2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110083373

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide (CID 124983991) is 2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide is Cc1nc([C@@H]2CCN(C(=O)C3CCC3)C2)nc(C)c1CC(=O)NC1CCCC1.
What is the InChIKey of 2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide?
The InChIKey is NHQBRUDYDZTOLO-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-14-19(12-20(27)25-18-8-3-4-9-18)15(2)24-21(23-14)17-10-11-26(13-17)22(28)16-6-5-7-16/h16-18H,3-13H2,1-2H3,(H,25,27)/t17-/m1/s1.
What are the key properties of 2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide?
2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide has a molecular weight of 384.52 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 124983991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).