4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine

C17H17N3S — CID 80873237

IUPAC4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Sc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H17N3S/c1-2-10-18-17-19-11-9-16(20-17)21-15-8-7-13-5-3-4-6-14(13)12-15/h3-9,11-12H,2,10H2,1H3,(H,18,19,20)
InChIKeyOZKUVSWPTUCFMR-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.60
Rot. Bonds5

About 4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine

4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine (PubChem CID 80873237) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine
PubChem CID80873237
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(Sc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H17N3S/c1-2-10-18-17-19-11-9-16(20-17)21-15-8-7-13-5-3-4-6-14(13)12-15/h3-9,11-12H,2,10H2,1H3,(H,18,19,20)
InChIKeyOZKUVSWPTUCFMR-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dichlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80891234
4-(4-chlorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80888094
4-propan-2-ylsulfanyl-N-propylpyrimidin-2-amine
CID 80886291
4-butylsulfanyl-N-propylpyrimidin-2-amine
CID 80884560
4-(3-methylbutylsulfanyl)-N-propylpyrimidin-2-amine
CID 107766037
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80882835
N-ethyl-4-pyridin-4-ylsulfanylpyrimidin-2-amine
CID 80891030
N-ethyl-4-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80882665
3-[2-(propylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80890566
4-(furan-2-ylmethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80893880
4-(dimethoxymethyl)-N-propylpyrimidin-2-amine
CID 146441293
4-phenylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 24989920

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine (CID 80873237) is 4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine is CCCNc1nccc(Sc2ccc3ccccc3c2)n1.
What is the InChIKey of 4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine?
The InChIKey is OZKUVSWPTUCFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-2-10-18-17-19-11-9-16(20-17)21-15-8-7-13-5-3-4-6-14(13)12-15/h3-9,11-12H,2,10H2,1H3,(H,18,19,20).
What are the key properties of 4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine?
4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine has a molecular weight of 295.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylsulfanyl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80873237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).