2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one

C12H19N3OS — CID 64611946

IUPAC2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNC1CCCCC1Sc1nccc(=O)[nH]1
InChIInChI=1S/C12H19N3OS/c1-2-13-9-5-3-4-6-10(9)17-12-14-8-7-11(16)15-12/h7-10,13H,2-6H2,1H3,(H,14,15,16)
InChIKeyHFCKQWJVTAHTAY-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.78
Rot. Bonds4

About 2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one

2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 64611946) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID64611946
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNC1CCCCC1Sc1nccc(=O)[nH]1
InChIInChI=1S/C12H19N3OS/c1-2-13-9-5-3-4-6-10(9)17-12-14-8-7-11(16)15-12/h7-10,13H,2-6H2,1H3,(H,14,15,16)
InChIKeyHFCKQWJVTAHTAY-UHFFFAOYSA-N
XLogP1.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one (CID 64611946) is 2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one is CCNC1CCCCC1Sc1nccc(=O)[nH]1.
What is the InChIKey of 2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is HFCKQWJVTAHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-13-9-5-3-4-6-10(9)17-12-14-8-7-11(16)15-12/h7-10,13H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one?
2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 253.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64611946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).