4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine

C18H16N6O — CID 22540502

IUPAC4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
SMILESCc1cc(Nc2ncnc(Nc3cccc4ccccc34)c2N)no1
InChIInChI=1S/C18H16N6O/c1-11-9-15(24-25-11)23-18-16(19)17(20-10-21-18)22-14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,19H2,1H3,(H2,20,21,22,23,24)
InChIKeyQVTAPKZOZAHHJN-UHFFFAOYSA-N
MW332.37 g/mol
LogP4.00
Rot. Bonds4

About 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine

4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine (PubChem CID 22540502) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
PubChem CID22540502
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
SMILESCc1cc(Nc2ncnc(Nc3cccc4ccccc34)c2N)no1
InChIInChI=1S/C18H16N6O/c1-11-9-15(24-25-11)23-18-16(19)17(20-10-21-18)22-14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,19H2,1H3,(H2,20,21,22,23,24)
InChIKeyQVTAPKZOZAHHJN-UHFFFAOYSA-N
XLogP4.00
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine (CID 22540502) is 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine is Cc1cc(Nc2ncnc(Nc3cccc4ccccc34)c2N)no1.
What is the InChIKey of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The InChIKey is QVTAPKZOZAHHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-11-9-15(24-25-11)23-18-16(19)17(20-10-21-18)22-14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,19H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine has a molecular weight of 332.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).