5-naphthalen-2-ylpyrimidin-2-amine

C28H22N6 — CID 139194225

IUPAC5-naphthalen-2-ylpyrimidin-2-amine
SMILESNc1ncc(-c2ccc3ccccc3c2)cn1.Nc1ncc(-c2ccc3ccccc3c2)cn1
InChIInChI=1S/2C14H11N3/c2*15-14-16-8-13(9-17-14)12-6-5-10-3-1-2-4-11(10)7-12/h2*1-9H,(H2,15,16,17)
InChIKeySEGCVKRSJVULIJ-UHFFFAOYSA-N
MW442.53 g/mol
LogP5.76
Rot. Bonds2

About 5-naphthalen-2-ylpyrimidin-2-amine

5-naphthalen-2-ylpyrimidin-2-amine (PubChem CID 139194225) has the molecular formula C28H22N6 and a molecular weight of 442.53 g/mol. Its IUPAC name is 5-naphthalen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-naphthalen-2-ylpyrimidin-2-amine
PubChem CID139194225
Molecular FormulaC28H22N6
Molecular Weight442.53 g/mol
Exact Mass442.19
IUPAC Name5-naphthalen-2-ylpyrimidin-2-amine
SMILESNc1ncc(-c2ccc3ccccc3c2)cn1.Nc1ncc(-c2ccc3ccccc3c2)cn1
InChIInChI=1S/2C14H11N3/c2*15-14-16-8-13(9-17-14)12-6-5-10-3-1-2-4-11(10)7-12/h2*1-9H,(H2,15,16,17)
InChIKeySEGCVKRSJVULIJ-UHFFFAOYSA-N
XLogP5.76
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-methoxynaphthalen-2-yl)pyrimidin-2-amine
CID 122237679
N-methyl-5-naphthalen-2-ylpyrimidin-2-amine
CID 116977056
benzo[f]azulene
CID 13065869
6-naphthalen-2-ylisoquinoline
CID 59724414
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
5-quinolin-2-ylpyrimidin-2-amine
CID 112694944
2-methyl-4-naphthalen-2-ylaniline
CID 54912511
2-(4-naphthalen-2-ylphenyl)aniline
CID 150273295
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
4-deuterio-6-naphthalen-2-ylnaphthalen-2-amine
CID 164939306
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
2-naphthalen-2-ylphenanthrene
CID 90738367

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-ylpyrimidin-2-amine?
The IUPAC name of 5-naphthalen-2-ylpyrimidin-2-amine (CID 139194225) is 5-naphthalen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-naphthalen-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-naphthalen-2-ylpyrimidin-2-amine is Nc1ncc(-c2ccc3ccccc3c2)cn1.Nc1ncc(-c2ccc3ccccc3c2)cn1.
What is the InChIKey of 5-naphthalen-2-ylpyrimidin-2-amine?
The InChIKey is SEGCVKRSJVULIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11N3/c2*15-14-16-8-13(9-17-14)12-6-5-10-3-1-2-4-11(10)7-12/h2*1-9H,(H2,15,16,17).
What are the key properties of 5-naphthalen-2-ylpyrimidin-2-amine?
5-naphthalen-2-ylpyrimidin-2-amine has a molecular weight of 442.53 g/mol, XLogP of 5.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 139194225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).