N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide

C18H26N6O — CID 124955181

IUPACN-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc([C@H]2CCCN2Cc2nccn2C(C)C)n1
InChIInChI=1S/C18H26N6O/c1-13(2)24-10-8-19-17(24)12-23-9-4-5-16(23)18-20-7-6-15(22-18)11-21-14(3)25/h6-8,10,13,16H,4-5,9,11-12H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyFHXYLKLKNGFFGB-MRXNPFEDSA-N
MW342.45 g/mol
LogP2.23
Rot. Bonds6

About N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide

N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (PubChem CID 124955181) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
PubChem CID124955181
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc([C@H]2CCCN2Cc2nccn2C(C)C)n1
InChIInChI=1S/C18H26N6O/c1-13(2)24-10-8-19-17(24)12-23-9-4-5-16(23)18-20-7-6-15(22-18)11-21-14(3)25/h6-8,10,13,16H,4-5,9,11-12H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyFHXYLKLKNGFFGB-MRXNPFEDSA-N
XLogP2.23
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125025430
N-[[2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124958167
N-[[2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124966489
N-[[2-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110095783
N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124946512
N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095794
N-[[2-[(2R)-1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124995728
N-[[2-[(2R)-1-[2-(dimethylamino)acetyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124953617
N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125015958
N-[[2-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124983833
N-[[2-[1-(3-methylthiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110117255
N-[[4-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124990507

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (CID 124955181) is N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is CC(=O)NCc1ccnc([C@H]2CCCN2Cc2nccn2C(C)C)n1.
What is the InChIKey of N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The InChIKey is FHXYLKLKNGFFGB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(2)24-10-8-19-17(24)12-23-9-4-5-16(23)18-20-7-6-15(22-18)11-21-14(3)25/h6-8,10,13,16H,4-5,9,11-12H2,1-3H3,(H,21,25)/t16-/m1/s1.
What are the key properties of N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 124955181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).