N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide

C18H26N6O — CID 44581866

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCCCC1CCN(c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)C1
InChIInChI=1S/C18H26N6O/c1-5-6-15-7-8-23(11-15)17-10-16(19-14(4)25)20-18(21-17)24-13(3)9-12(2)22-24/h9-10,15H,5-8,11H2,1-4H3,(H,19,20,21,25)
InChIKeyBOLIEOARQUBCKA-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 44581866) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide
PubChem CID44581866
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide
SMILESCCCC1CCN(c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)C1
InChIInChI=1S/C18H26N6O/c1-5-6-15-7-8-23(11-15)17-10-16(19-14(4)25)20-18(21-17)24-13(3)9-12(2)22-24/h9-10,15H,5-8,11H2,1-4H3,(H,19,20,21,25)
InChIKeyBOLIEOARQUBCKA-UHFFFAOYSA-N
XLogP2.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide (CID 44581866) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide is CCCC1CCN(c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)C1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is BOLIEOARQUBCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-5-6-15-7-8-23(11-15)17-10-16(19-14(4)25)20-18(21-17)24-13(3)9-12(2)22-24/h9-10,15H,5-8,11H2,1-4H3,(H,19,20,21,25).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 342.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(3-propylpyrrolidin-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 44581866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).