2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one

C15H15N3O — CID 70324499

IUPAC2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one
SMILESCC1(c2cccc3ccccc23)CC(=O)NC(N)=N1
InChIInChI=1S/C15H15N3O/c1-15(9-13(19)17-14(16)18-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H3,16,17,18,19)
InChIKeyRFOOUNONWZIRCN-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.89
Rot. Bonds1

About 2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one

2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one (PubChem CID 70324499) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one
PubChem CID70324499
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one
SMILESCC1(c2cccc3ccccc23)CC(=O)NC(N)=N1
InChIInChI=1S/C15H15N3O/c1-15(9-13(19)17-14(16)18-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H3,16,17,18,19)
InChIKeyRFOOUNONWZIRCN-UHFFFAOYSA-N
XLogP1.89
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one?
The IUPAC name of 2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one (CID 70324499) is 2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one is CC1(c2cccc3ccccc23)CC(=O)NC(N)=N1.
What is the InChIKey of 2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one?
The InChIKey is RFOOUNONWZIRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-15(9-13(19)17-14(16)18-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one?
2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one has a molecular weight of 253.31 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-4-naphthalen-1-yl-1,5-dihydropyrimidin-6-one is sourced from PubChem (CID 70324499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).