2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one

C12H19N3OS — CID 64717791

IUPAC2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNC1CCCC(Sc2nccc(=O)[nH]2)C1
InChIInChI=1S/C12H19N3OS/c1-2-13-9-4-3-5-10(8-9)17-12-14-7-6-11(16)15-12/h6-7,9-10,13H,2-5,8H2,1H3,(H,14,15,16)
InChIKeyZNVJDBYVDJQULC-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.78
Rot. Bonds4

About 2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one

2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 64717791) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID64717791
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNC1CCCC(Sc2nccc(=O)[nH]2)C1
InChIInChI=1S/C12H19N3OS/c1-2-13-9-4-3-5-10(8-9)17-12-14-7-6-11(16)15-12/h6-7,9-10,13H,2-5,8H2,1H3,(H,14,15,16)
InChIKeyZNVJDBYVDJQULC-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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Related Compounds

2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64611550
3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 64722823
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 64611334
N-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 104604722
N-ethyl-3-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 64718244
3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64716737
N-ethyl-3-quinazolin-4-ylsulfanylcyclohexan-1-amine
CID 64716116
N-ethyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-amine
CID 64715489
3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79653898
N-ethyl-3-ethylsulfanylcyclohexan-1-amine
CID 64715277
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 3149634
2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 860108

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one (CID 64717791) is 2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one is CCNC1CCCC(Sc2nccc(=O)[nH]2)C1.
What is the InChIKey of 2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is ZNVJDBYVDJQULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-13-9-4-3-5-10(8-9)17-12-14-7-6-11(16)15-12/h6-7,9-10,13H,2-5,8H2,1H3,(H,14,15,16).
What are the key properties of 2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one?
2-[3-(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-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64717791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).