N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H21N3S — CID 115420595

IUPACN,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2C(C)CC1Sc1ncc(C)cn1
InChIInChI=1S/C17H21N3S/c1-11-9-19-17(20-10-11)21-15-8-12(2)13-6-4-5-7-14(13)16(15)18-3/h4-7,9-10,12,15-16,18H,8H2,1-3H3
InChIKeyGTRQJOWCOZLGFZ-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.71
Rot. Bonds3

About N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115420595) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115420595
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2C(C)CC1Sc1ncc(C)cn1
InChIInChI=1S/C17H21N3S/c1-11-9-19-17(20-10-11)21-15-8-12(2)13-6-4-5-7-14(13)16(15)18-3/h4-7,9-10,12,15-16,18H,8H2,1-3H3
InChIKeyGTRQJOWCOZLGFZ-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115420595) is N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2C(C)CC1Sc1ncc(C)cn1.
What is the InChIKey of N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GTRQJOWCOZLGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-11-9-19-17(20-10-11)21-15-8-12(2)13-6-4-5-7-14(13)16(15)18-3/h4-7,9-10,12,15-16,18H,8H2,1-3H3.
What are the key properties of N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 299.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115420595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).