5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine

C15H15N5 — CID 516685

IUPAC5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine
SMILESNc1ncc(NCc2cccc3ccccc23)c(N)n1
InChIInChI=1S/C15H15N5/c16-14-13(9-19-15(17)20-14)18-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,18H,8H2,(H4,16,17,19,20)
InChIKeyWYFMWZHKVDIVCN-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.41
Rot. Bonds3

About 5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine

5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine (PubChem CID 516685) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine
PubChem CID516685
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine
SMILESNc1ncc(NCc2cccc3ccccc23)c(N)n1
InChIInChI=1S/C15H15N5/c16-14-13(9-19-15(17)20-14)18-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,18H,8H2,(H4,16,17,19,20)
InChIKeyWYFMWZHKVDIVCN-UHFFFAOYSA-N
XLogP2.41
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine?
The IUPAC name of 5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine (CID 516685) is 5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine.
What is the SMILES notation for 5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine?
The canonical SMILES for 5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine is Nc1ncc(NCc2cccc3ccccc23)c(N)n1.
What is the InChIKey of 5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine?
The InChIKey is WYFMWZHKVDIVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-14-13(9-19-15(17)20-14)18-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,18H,8H2,(H4,16,17,19,20).
What are the key properties of 5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine?
5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine has a molecular weight of 265.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine is sourced from PubChem (CID 516685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).