7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol

C16H19N3OS — CID 18343451

IUPAC7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC1(C)c2cc(O)ccc2CC(Sc2ncccn2)C1N
InChIInChI=1S/C16H19N3OS/c1-16(2)12-9-11(20)5-4-10(12)8-13(14(16)17)21-15-18-6-3-7-19-15/h3-7,9,13-14,20H,8,17H2,1-2H3
InChIKeyKOSZSGVJAQWOQB-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.50
Rot. Bonds2

About 7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol

7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 18343451) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID18343451
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESCC1(C)c2cc(O)ccc2CC(Sc2ncccn2)C1N
InChIInChI=1S/C16H19N3OS/c1-16(2)12-9-11(20)5-4-10(12)8-13(14(16)17)21-15-18-6-3-7-19-15/h3-7,9,13-14,20H,8,17H2,1-2H3
InChIKeyKOSZSGVJAQWOQB-UHFFFAOYSA-N
XLogP2.50
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of 7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol (CID 18343451) is 7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for 7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for 7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol is CC1(C)c2cc(O)ccc2CC(Sc2ncccn2)C1N.
What is the InChIKey of 7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is KOSZSGVJAQWOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-16(2)12-9-11(20)5-4-10(12)8-13(14(16)17)21-15-18-6-3-7-19-15/h3-7,9,13-14,20H,8,17H2,1-2H3.
What are the key properties of 7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol?
7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 301.42 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-8,8-dimethyl-6-pyrimidin-2-ylsulfanyl-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 18343451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).