2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

C13H23N5O — CID 80960849

IUPAC2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1cc(N)nc(C(C)(C)C)n1)C(=O)N(C)C
InChIInChI=1S/C13H23N5O/c1-8(11(19)18(5)6)15-10-7-9(14)16-12(17-10)13(2,3)4/h7-8H,1-6H3,(H3,14,15,16,17)
InChIKeyGJQBWFJSVXQYKU-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.24
Rot. Bonds3

About 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide

2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (PubChem CID 80960849) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
PubChem CID80960849
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1cc(N)nc(C(C)(C)C)n1)C(=O)N(C)C
InChIInChI=1S/C13H23N5O/c1-8(11(19)18(5)6)15-10-7-9(14)16-12(17-10)13(2,3)4/h7-8H,1-6H3,(H3,14,15,16,17)
InChIKeyGJQBWFJSVXQYKU-UHFFFAOYSA-N
XLogP1.24
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide (CID 80960849) is 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is CC(Nc1cc(N)nc(C(C)(C)C)n1)C(=O)N(C)C.
What is the InChIKey of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is GJQBWFJSVXQYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-8(11(19)18(5)6)15-10-7-9(14)16-12(17-10)13(2,3)4/h7-8H,1-6H3,(H3,14,15,16,17).
What are the key properties of 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide?
2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 80960849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).