1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone

C14H16N4O — CID 74237085

IUPAC1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C14H16N4O/c1-9(19)10-4-6-11(7-5-10)12-8-13(15)17-14(16-12)18(2)3/h4-8H,1-3H3,(H2,15,16,17)
InChIKeyFJTKUZLXFYBZRU-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.99
Rot. Bonds3

About 1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone

1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone (PubChem CID 74237085) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone
PubChem CID74237085
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C14H16N4O/c1-9(19)10-4-6-11(7-5-10)12-8-13(15)17-14(16-12)18(2)3/h4-8H,1-3H3,(H2,15,16,17)
InChIKeyFJTKUZLXFYBZRU-UHFFFAOYSA-N
XLogP1.99
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone (CID 74237085) is 1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone is CC(=O)c1ccc(-c2cc(N)nc(N(C)C)n2)cc1.
What is the InChIKey of 1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone?
The InChIKey is FJTKUZLXFYBZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9(19)10-4-6-11(7-5-10)12-8-13(15)17-14(16-12)18(2)3/h4-8H,1-3H3,(H2,15,16,17).
What are the key properties of 1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone?
1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone has a molecular weight of 256.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]phenyl]ethanone is sourced from PubChem (CID 74237085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).