N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide

C21H32N4O2 — CID 124946965

IUPACN-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCCC(CC)C(=O)N1CC[C@H](c2nc(C)c(CC(=O)NC3CC3)c(C)n2)C1
InChIInChI=1S/C21H32N4O2/c1-5-15(6-2)21(27)25-10-9-16(12-25)20-22-13(3)18(14(4)23-20)11-19(26)24-17-7-8-17/h15-17H,5-12H2,1-4H3,(H,24,26)/t16-/m0/s1
InChIKeyCCEGWPGRJBHHJA-INIZCTEOSA-N
MW372.51 g/mol
LogP2.67
Rot. Bonds7

About N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide

N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide (PubChem CID 124946965) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
PubChem CID124946965
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCCC(CC)C(=O)N1CC[C@H](c2nc(C)c(CC(=O)NC3CC3)c(C)n2)C1
InChIInChI=1S/C21H32N4O2/c1-5-15(6-2)21(27)25-10-9-16(12-25)20-22-13(3)18(14(4)23-20)11-19(26)24-17-7-8-17/h15-17H,5-12H2,1-4H3,(H,24,26)/t16-/m0/s1
InChIKeyCCEGWPGRJBHHJA-INIZCTEOSA-N
XLogP2.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[2-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110088482
2-[2-[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-cyclopentylacetamide
CID 124983991
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-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124987605
N-cyclopropyl-2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
CID 110083297
1-[3-[4,6-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 110083265
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111536839
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
2-[4,6-dimethyl-2-[(3S)-1-[(2S)-2-phenylpropanoyl]piperidin-3-yl]pyrimidin-5-yl]-N-methylacetamide
CID 124997788
N-cyclohexyl-2-[2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125021463

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide (CID 124946965) is N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide is CCC(CC)C(=O)N1CC[C@H](c2nc(C)c(CC(=O)NC3CC3)c(C)n2)C1.
What is the InChIKey of N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The InChIKey is CCEGWPGRJBHHJA-INIZCTEOSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-5-15(6-2)21(27)25-10-9-16(12-25)20-22-13(3)18(14(4)23-20)11-19(26)24-17-7-8-17/h15-17H,5-12H2,1-4H3,(H,24,26)/t16-/m0/s1.
What are the key properties of N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide has a molecular weight of 372.51 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 124946965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).