2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one

C13H21N3OS — CID 64611550

IUPAC2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNC1CCC(C)CC1Sc1nccc(=O)[nH]1
InChIInChI=1S/C13H21N3OS/c1-3-14-10-5-4-9(2)8-11(10)18-13-15-7-6-12(17)16-13/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,15,16,17)
InChIKeyJKPCYFSXNZYQPI-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.03
Rot. Bonds4

About 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one

2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 64611550) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one
PubChem CID64611550
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one
SMILESCCNC1CCC(C)CC1Sc1nccc(=O)[nH]1
InChIInChI=1S/C13H21N3OS/c1-3-14-10-5-4-9(2)8-11(10)18-13-15-7-6-12(17)16-13/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,15,16,17)
InChIKeyJKPCYFSXNZYQPI-UHFFFAOYSA-N
XLogP2.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64650286
2-[3-(ethylamino)cyclohexyl]sulfanyl-1H-pyrimidin-6-one
CID 64717791
N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927497
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 64611334
2-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-pyrimidin-6-one
CID 64905285
N-ethyl-4-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64648028
2-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
CID 79863172
2-(3-bromophenyl)sulfanyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64632990
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 64650161
N-ethyl-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)cyclohexan-1-amine
CID 64634362
N,4-diethyl-2-pyridin-2-ylsulfanylcyclohexan-1-amine
CID 64648516
4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 114001243

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one (CID 64611550) is 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one is CCNC1CCC(C)CC1Sc1nccc(=O)[nH]1.
What is the InChIKey of 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is JKPCYFSXNZYQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-14-10-5-4-9(2)8-11(10)18-13-15-7-6-12(17)16-13/h6-7,9-11,14H,3-5,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one?
2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 267.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-5-methylcyclohexyl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64611550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).