4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H19N3S — CID 115420539

IUPAC4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccnc(SC2CC(C)c3ccccc3C2N)n1
InChIInChI=1S/C16H19N3S/c1-10-9-14(20-16-18-8-7-11(2)19-16)15(17)13-6-4-3-5-12(10)13/h3-8,10,14-15H,9,17H2,1-2H3
InChIKeyAIOWMPOGWIKCPP-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.45
Rot. Bonds2

About 4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420539) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420539
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1ccnc(SC2CC(C)c3ccccc3C2N)n1
InChIInChI=1S/C16H19N3S/c1-10-9-14(20-16-18-8-7-11(2)19-16)15(17)13-6-4-3-5-12(10)13/h3-8,10,14-15H,9,17H2,1-2H3
InChIKeyAIOWMPOGWIKCPP-UHFFFAOYSA-N
XLogP3.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4878484
(4-Isopropyl-benzyl)-[3-(pyrimidin-2-ylsulfanyl)-propyl]-amine
CID 24747120
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-(propylsulfanyl)acetamide
CID 3706035
1-(5,6-Dihydrobenzo[h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one
CID 142610878
(2-Methyl-benzyl)-[3-(pyrimidin-2-ylsulfanyl)-propyl]-amine
CID 23724381
2-Cyclohexylsulfanyl-5-methyl-4-(m-tolylmethyl)pyrimidine
CID 465886
N,N-dimethyl-2-(4-phenylpyrimidin-2-yl)sulfanylethanamine
CID 188799
N-benzhydryl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 2642167
N-benzyl-4-[2-(4-methylsulfanylphenyl)ethyl]pyrimidin-2-amine
CID 45258185
2-Methylsulfanyl-4-naphthalen-1-ylpyrimidine
CID 86018961
N-[(2-methylphenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine
CID 6498238
N-[(4-propan-2-ylphenyl)methyl]-3-pyrimidin-2-ylsulfanylpropan-1-amine
CID 6498241

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420539) is 4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1ccnc(SC2CC(C)c3ccccc3C2N)n1.
What is the InChIKey of 4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is AIOWMPOGWIKCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-10-9-14(20-16-18-8-7-11(2)19-16)15(17)13-6-4-3-5-12(10)13/h3-8,10,14-15H,9,17H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.42 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).