3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide

C12H20N4O2 — CID 91661039

IUPAC3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCOc1nc(C)nc(NCC(C)(C)C(N)=O)c1C
InChIInChI=1S/C12H20N4O2/c1-7-9(14-6-12(3,4)11(13)17)15-8(2)16-10(7)18-5/h6H2,1-5H3,(H2,13,17)(H,14,15,16)
InChIKeyVTPIKQFWTBLMAA-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.03
Rot. Bonds5

About 3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide

3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 91661039) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID91661039
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCOc1nc(C)nc(NCC(C)(C)C(N)=O)c1C
InChIInChI=1S/C12H20N4O2/c1-7-9(14-6-12(3,4)11(13)17)15-8(2)16-10(7)18-5/h6H2,1-5H3,(H2,13,17)(H,14,15,16)
InChIKeyVTPIKQFWTBLMAA-UHFFFAOYSA-N
XLogP1.03
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide (CID 91661039) is 3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide is COc1nc(C)nc(NCC(C)(C)C(N)=O)c1C.
What is the InChIKey of 3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is VTPIKQFWTBLMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7-9(14-6-12(3,4)11(13)17)15-8(2)16-10(7)18-5/h6H2,1-5H3,(H2,13,17)(H,14,15,16).
What are the key properties of 3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 252.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 91661039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).