5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine

C15H14N4O — CID 516676

IUPAC5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine
SMILESNc1ncc(OCc2cccc3ccccc23)c(N)n1
InChIInChI=1S/C15H14N4O/c16-14-13(8-18-15(17)19-14)20-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H4,16,17,18,19)
InChIKeyLAPNSEFMQHJTRR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.37
Rot. Bonds3

About 5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine

5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine (PubChem CID 516676) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine
PubChem CID516676
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine
SMILESNc1ncc(OCc2cccc3ccccc23)c(N)n1
InChIInChI=1S/C15H14N4O/c16-14-13(8-18-15(17)19-14)20-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H4,16,17,18,19)
InChIKeyLAPNSEFMQHJTRR-UHFFFAOYSA-N
XLogP2.37
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine (CID 516676) is 5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine is Nc1ncc(OCc2cccc3ccccc23)c(N)n1.
What is the InChIKey of 5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine?
The InChIKey is LAPNSEFMQHJTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-14-13(8-18-15(17)19-14)20-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-8H,9H2,(H4,16,17,18,19).
What are the key properties of 5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine?
5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine has a molecular weight of 266.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 516676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).