2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

C16H15N3OS — CID 64610927

IUPAC2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESNC(CSc1nccc(=O)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C16H15N3OS/c17-14(10-21-16-18-9-8-15(20)19-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14H,10,17H2,(H,18,19,20)
InChIKeyQFQCDDLVJIBVOG-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.72
Rot. Bonds4

About 2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one

2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 64610927) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID64610927
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
SMILESNC(CSc1nccc(=O)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C16H15N3OS/c17-14(10-21-16-18-9-8-15(20)19-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14H,10,17H2,(H,18,19,20)
InChIKeyQFQCDDLVJIBVOG-UHFFFAOYSA-N
XLogP2.72
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one (CID 64610927) is 2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is NC(CSc1nccc(=O)[nH]1)c1cccc2ccccc12.
What is the InChIKey of 2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is QFQCDDLVJIBVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c17-14(10-21-16-18-9-8-15(20)19-16)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14H,10,17H2,(H,18,19,20).
What are the key properties of 2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one?
2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 297.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-naphthalen-1-ylethyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64610927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).