2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide

C13H20N4O — CID 56874933

IUPAC2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1nccc(C2CCCC2)n1
InChIInChI=1S/C13H20N4O/c1-14-12(18)9-17(2)13-15-8-7-11(16-13)10-5-3-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,14,18)
InChIKeyBTTMJGLBZXZREE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds4

About 2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide

2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide (PubChem CID 56874933) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide
PubChem CID56874933
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1nccc(C2CCCC2)n1
InChIInChI=1S/C13H20N4O/c1-14-12(18)9-17(2)13-15-8-7-11(16-13)10-5-3-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,14,18)
InChIKeyBTTMJGLBZXZREE-UHFFFAOYSA-N
XLogP1.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide (CID 56874933) is 2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1nccc(C2CCCC2)n1.
What is the InChIKey of 2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide?
The InChIKey is BTTMJGLBZXZREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-14-12(18)9-17(2)13-15-8-7-11(16-13)10-5-3-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,14,18).
What are the key properties of 2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide?
2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylpyrimidin-2-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 56874933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).