2-naphthalen-2-ylsulfanylpyrimidin-4-amine

C14H11N3S — CID 71400357

IUPAC2-naphthalen-2-ylsulfanylpyrimidin-4-amine
SMILESNc1ccnc(Sc2ccc3ccccc3c2)n1
InChIInChI=1S/C14H11N3S/c15-13-7-8-16-14(17-13)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,15,16,17)
InChIKeyLHVKJZQPAKXKDE-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.36
Rot. Bonds2

About 2-naphthalen-2-ylsulfanylpyrimidin-4-amine

2-naphthalen-2-ylsulfanylpyrimidin-4-amine (PubChem CID 71400357) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanylpyrimidin-4-amine
PubChem CID71400357
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name2-naphthalen-2-ylsulfanylpyrimidin-4-amine
SMILESNc1ccnc(Sc2ccc3ccccc3c2)n1
InChIInChI=1S/C14H11N3S/c15-13-7-8-16-14(17-13)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,15,16,17)
InChIKeyLHVKJZQPAKXKDE-UHFFFAOYSA-N
XLogP3.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-({2-[(4-Methylphenyl)thio]ethyl}thio)pyrimidine
CID 2948897
2-naphthalen-2-ylsulfanyl-N-pyrimidin-2-ylacetamide
CID 2358893
4-Chloro-6-(2-naphthylsulfanyl)-2-pyrimidinamine
CID 1484529
2-Chloro-4-[(4-methylphenyl)sulfanyl]pyrimidine
CID 18327475
2-[(4-Phenylbutyl)sulfanyl]pyrimidin-4-amine
CID 309817
5-(Naphthalen-2-ylsulfanylmethyl)pyrimidine-2,4-diamine
CID 516693
2-(Benzylsulfanyl)pyrimidin-4-amine
CID 308583
2-(2-Naphthylmethylsulfanyl)pyrimidin-4-amine
CID 308585
4-Benzylsulfanylpyrimidin-2-amine
CID 238734
4-Pyrimidinamine, 2-(butylthio)-6-(2-naphthalenylthio)-
CID 478118
4-[[4-(2-Naphthylsulfanyl)pyrimidin-2-yl]amino]benzonitrile
CID 25114987
4-Naphthalen-1-ylsulfanyl-6-pyrrolidin-1-ylpyrimidine
CID 172438061

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-naphthalen-2-ylsulfanylpyrimidin-4-amine (CID 71400357) is 2-naphthalen-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-naphthalen-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-naphthalen-2-ylsulfanylpyrimidin-4-amine is Nc1ccnc(Sc2ccc3ccccc3c2)n1.
What is the InChIKey of 2-naphthalen-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is LHVKJZQPAKXKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c15-13-7-8-16-14(17-13)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H2,15,16,17).
What are the key properties of 2-naphthalen-2-ylsulfanylpyrimidin-4-amine?
2-naphthalen-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 253.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 71400357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).