5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine

C15H14N4 — CID 516669

IUPAC5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2ccc3ccccc3c2)c(N)n1
InChIInChI=1S/C15H14N4/c16-14-13(9-18-15(17)19-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H4,16,17,18,19)
InChIKeyCLEQGRGCGNZHCE-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.38
Rot. Bonds2

About 5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine

5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 516669) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID516669
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2ccc3ccccc3c2)c(N)n1
InChIInChI=1S/C15H14N4/c16-14-13(9-18-15(17)19-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H4,16,17,18,19)
InChIKeyCLEQGRGCGNZHCE-UHFFFAOYSA-N
XLogP2.38
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine (CID 516669) is 5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine is Nc1ncc(Cc2ccc3ccccc3c2)c(N)n1.
What is the InChIKey of 5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is CLEQGRGCGNZHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-14-13(9-18-15(17)19-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H4,16,17,18,19).
What are the key properties of 5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine?
5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 250.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 516669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).