2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine

C20H15N3S — CID 139991849

IUPAC2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine
SMILESNc1cc(-c2ccccc2)nc(Sc2ccc3ccccc3c2)n1
InChIInChI=1S/C20H15N3S/c21-19-13-18(15-7-2-1-3-8-15)22-20(23-19)24-17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H2,21,22,23)
InChIKeyFMMQMSHJHFVRJD-UHFFFAOYSA-N
MW329.43 g/mol
LogP5.03
Rot. Bonds3

About 2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine

2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine (PubChem CID 139991849) has the molecular formula C20H15N3S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine
PubChem CID139991849
Molecular FormulaC20H15N3S
Molecular Weight329.43 g/mol
Exact Mass329.10
IUPAC Name2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine
SMILESNc1cc(-c2ccccc2)nc(Sc2ccc3ccccc3c2)n1
InChIInChI=1S/C20H15N3S/c21-19-13-18(15-7-2-1-3-8-15)22-20(23-19)24-17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H2,21,22,23)
InChIKeyFMMQMSHJHFVRJD-UHFFFAOYSA-N
XLogP5.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-6-phenylpyrimidin-4-amine
CID 83848071
6-naphthalen-2-ylsulfanylpyridazin-3-amine
CID 15265164
4-[4-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]sulfanylphenyl]-2,6-dinaphthalen-2-ylpyrimidine
CID 140904971
2-naphthalen-2-ylsulfanylaniline
CID 43519144
4-[4-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-2,6-diphenylpyrimidine
CID 140904927
2-(3-fluorophenyl)-6-phenylpyrimidin-4-amine
CID 62192602
2-phenyl-6-(3-phenylphenyl)pyrimidin-4-amine
CID 138714829
2-chloro-4-naphthalen-2-yl-6-phenylpyrimidine
CID 88558011
(Z)-3-amino-N'-[2-(4-aminophenyl)sulfanyl-6-phenylpyrimidin-4-yl]but-2-enimidamide
CID 142155046
2-(2-amino-6-phenyl-4-pyridinyl)acetonitrile
CID 131378395
2,3,6,7,10,11-hexakis(naphthalen-2-ylsulfanyl)triphenylene
CID 20661250
3,5-dichloro-4-naphthalen-2-ylsulfanylaniline
CID 22148834

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine (CID 139991849) is 2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine is Nc1cc(-c2ccccc2)nc(Sc2ccc3ccccc3c2)n1.
What is the InChIKey of 2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine?
The InChIKey is FMMQMSHJHFVRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3S/c21-19-13-18(15-7-2-1-3-8-15)22-20(23-19)24-17-11-10-14-6-4-5-9-16(14)12-17/h1-13H,(H2,21,22,23).
What are the key properties of 2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine?
2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine has a molecular weight of 329.43 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 139991849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).