1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one

C14H16N4O — CID 174775659

IUPAC1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cc(NC)nc(N)n2)cc1
InChIInChI=1S/C14H16N4O/c1-3-12(19)10-6-4-9(5-7-10)11-8-13(16-2)18-14(15)17-11/h4-8H,3H2,1-2H3,(H3,15,16,17,18)
InChIKeyRNCDSFGZFGSBBG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.36
Rot. Bonds4

About 1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one

1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one (PubChem CID 174775659) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one
PubChem CID174775659
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2cc(NC)nc(N)n2)cc1
InChIInChI=1S/C14H16N4O/c1-3-12(19)10-6-4-9(5-7-10)11-8-13(16-2)18-14(15)17-11/h4-8H,3H2,1-2H3,(H3,15,16,17,18)
InChIKeyRNCDSFGZFGSBBG-UHFFFAOYSA-N
XLogP2.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one (CID 174775659) is 1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one is CCC(=O)c1ccc(-c2cc(NC)nc(N)n2)cc1.
What is the InChIKey of 1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one?
The InChIKey is RNCDSFGZFGSBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-12(19)10-6-4-9(5-7-10)11-8-13(16-2)18-14(15)17-11/h4-8H,3H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one?
1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one has a molecular weight of 256.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]propan-1-one is sourced from PubChem (CID 174775659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).