2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide

C13H23N5O — CID 80820561

IUPAC2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
SMILESCNc1nc(C)nc(N(CC(N)=O)CC(C)C)c1C
InChIInChI=1S/C13H23N5O/c1-8(2)6-18(7-11(14)19)13-9(3)12(15-5)16-10(4)17-13/h8H,6-7H2,1-5H3,(H2,14,19)(H,15,16,17)
InChIKeyIMGCCBDMVGAMOL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.08
Rot. Bonds6

About 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide

2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide (PubChem CID 80820561) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
PubChem CID80820561
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
SMILESCNc1nc(C)nc(N(CC(N)=O)CC(C)C)c1C
InChIInChI=1S/C13H23N5O/c1-8(2)6-18(7-11(14)19)13-9(3)12(15-5)16-10(4)17-13/h8H,6-7H2,1-5H3,(H2,14,19)(H,15,16,17)
InChIKeyIMGCCBDMVGAMOL-UHFFFAOYSA-N
XLogP1.08
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide (CID 80820561) is 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide is CNc1nc(C)nc(N(CC(N)=O)CC(C)C)c1C.
What is the InChIKey of 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide?
The InChIKey is IMGCCBDMVGAMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-8(2)6-18(7-11(14)19)13-9(3)12(15-5)16-10(4)17-13/h8H,6-7H2,1-5H3,(H2,14,19)(H,15,16,17).
What are the key properties of 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide?
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 80820561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).