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

C18H26N6O — CID 125025430

IUPACN-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCCCn1ccnc1CN1CCC[C@@H]1c1nccc(CNC(C)=O)n1
InChIInChI=1S/C18H26N6O/c1-3-9-23-11-8-19-17(23)13-24-10-4-5-16(24)18-20-7-6-15(22-18)12-21-14(2)25/h6-8,11,16H,3-5,9-10,12-13H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyZMOBFTZMZBKKCG-MRXNPFEDSA-N
MW342.45 g/mol
LogP2.06
Rot. Bonds7

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

N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (PubChem CID 125025430) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
PubChem CID125025430
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCCCn1ccnc1CN1CCC[C@@H]1c1nccc(CNC(C)=O)n1
InChIInChI=1S/C18H26N6O/c1-3-9-23-11-8-19-17(23)13-24-10-4-5-16(24)18-20-7-6-15(22-18)12-21-14(2)25/h6-8,11,16H,3-5,9-10,12-13H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyZMOBFTZMZBKKCG-MRXNPFEDSA-N
XLogP2.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide (CID 125025430) is N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is CCCn1ccnc1CN1CCC[C@@H]1c1nccc(CNC(C)=O)n1.
What is the InChIKey of N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The InChIKey is ZMOBFTZMZBKKCG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N6O/c1-3-9-23-11-8-19-17(23)13-24-10-4-5-16(24)18-20-7-6-15(22-18)12-21-14(2)25/h6-8,11,16H,3-5,9-10,12-13H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide?
N-[[2-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 2.06, 7 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-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 125025430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).