3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one

C17H17N3O — CID 61224940

IUPAC3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)c2cccc3ccccc23)cn1
InChIInChI=1S/C17H17N3O/c1-12-9-17(21)20(11-19-12)10-16(18)15-8-4-6-13-5-2-3-7-14(13)15/h2-9,11,16H,10,18H2,1H3
InChIKeyPHUNBTQHLONCJL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.40
Rot. Bonds3

About 3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one

3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one (PubChem CID 61224940) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one
PubChem CID61224940
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)c2cccc3ccccc23)cn1
InChIInChI=1S/C17H17N3O/c1-12-9-17(21)20(11-19-12)10-16(18)15-8-4-6-13-5-2-3-7-14(13)15/h2-9,11,16H,10,18H2,1H3
InChIKeyPHUNBTQHLONCJL-UHFFFAOYSA-N
XLogP2.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one (CID 61224940) is 3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one is Cc1cc(=O)n(CC(N)c2cccc3ccccc23)cn1.
What is the InChIKey of 3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one?
The InChIKey is PHUNBTQHLONCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-9-17(21)20(11-19-12)10-16(18)15-8-4-6-13-5-2-3-7-14(13)15/h2-9,11,16H,10,18H2,1H3.
What are the key properties of 3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one?
3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one has a molecular weight of 279.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-naphthalen-1-ylethyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 61224940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).