2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide

C15H19N5O — CID 122301003

IUPAC2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1nccn1-c1ncc(NC(=O)CC2CCCC2)cn1
InChIInChI=1S/C15H19N5O/c1-11-16-6-7-20(11)15-17-9-13(10-18-15)19-14(21)8-12-4-2-3-5-12/h6-7,9-10,12H,2-5,8H2,1H3,(H,19,21)
InChIKeyYAXVNAQUYSRGLC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.49
Rot. Bonds4

About 2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide

2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 122301003) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
PubChem CID122301003
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1nccn1-c1ncc(NC(=O)CC2CCCC2)cn1
InChIInChI=1S/C15H19N5O/c1-11-16-6-7-20(11)15-17-9-13(10-18-15)19-14(21)8-12-4-2-3-5-12/h6-7,9-10,12H,2-5,8H2,1H3,(H,19,21)
InChIKeyYAXVNAQUYSRGLC-UHFFFAOYSA-N
XLogP2.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide (CID 122301003) is 2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide is Cc1nccn1-c1ncc(NC(=O)CC2CCCC2)cn1.
What is the InChIKey of 2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is YAXVNAQUYSRGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-16-6-7-20(11)15-17-9-13(10-18-15)19-14(21)8-12-4-2-3-5-12/h6-7,9-10,12H,2-5,8H2,1H3,(H,19,21).
What are the key properties of 2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide?
2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 122301003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).