N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine

C16H15N3S — CID 80884550

IUPACN,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Sc2ccc3ccccc3c2)n1
InChIInChI=1S/C16H15N3S/c1-11-9-15(19-16(17-2)18-11)20-14-8-7-12-5-3-4-6-13(12)10-14/h3-10H,1-2H3,(H,17,18,19)
InChIKeyJIXGJFLXRYTGJR-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.13
Rot. Bonds3

About N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine

N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80884550) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine
PubChem CID80884550
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Sc2ccc3ccccc3c2)n1
InChIInChI=1S/C16H15N3S/c1-11-9-15(19-16(17-2)18-11)20-14-8-7-12-5-3-4-6-13(12)10-14/h3-10H,1-2H3,(H,17,18,19)
InChIKeyJIXGJFLXRYTGJR-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methyl-6-naphthalen-2-ylsulfanylpyrimidin-2-yl)amino]benzonitrile
CID 25114984
N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80883368
4-(1H-benzimidazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80883757
N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine
CID 911699
N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
CID 80891727
4-(1,3-benzoxazol-2-ylsulfanyl)-N,6-dimethylpyrimidin-2-amine
CID 80893922
N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
CID 80883966
[4-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80922374
2-ethyl-N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
CID 80939312
[4-(3,4-dichlorophenyl)sulfanyl-6-methylpyrimidin-2-yl]hydrazine
CID 80929995
4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine
CID 80888720
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine
CID 80889961

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine (CID 80884550) is N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine is CNc1nc(C)cc(Sc2ccc3ccccc3c2)n1.
What is the InChIKey of N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is JIXGJFLXRYTGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-11-9-15(19-16(17-2)18-11)20-14-8-7-12-5-3-4-6-13(12)10-14/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine?
N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 281.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80884550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).