5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione

C16H18N2S — CID 106476770

IUPAC5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CCCc3ccccc32)nc(=S)c1C
InChIInChI=1S/C16H18N2S/c1-10-11(2)17-15(18-16(10)19)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,5,7,9H2,1-2H3,(H,17,18,19)
InChIKeyBCKBLQRCMWCLBC-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.22
Rot. Bonds1

About 5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione

5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione (PubChem CID 106476770) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione
PubChem CID106476770
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CCCc3ccccc32)nc(=S)c1C
InChIInChI=1S/C16H18N2S/c1-10-11(2)17-15(18-16(10)19)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,5,7,9H2,1-2H3,(H,17,18,19)
InChIKeyBCKBLQRCMWCLBC-UHFFFAOYSA-N
XLogP4.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476665
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
7-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 63723162
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 62719628
5,6-dichloro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 103977518
2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65407148
[5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63250464
6-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-4-carboxylic acid
CID 63250465
1-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 159713815
6-methyl-5-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 63251001
4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole
CID 81455031
2-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475280

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione (CID 106476770) is 5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione is Cc1[nH]c(C2CCCc3ccccc32)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione?
The InChIKey is BCKBLQRCMWCLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-10-11(2)17-15(18-16(10)19)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14H,5,7,9H2,1-2H3,(H,17,18,19).
What are the key properties of 5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione has a molecular weight of 270.40 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).