2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one

C15H17N3OS — CID 64611334

IUPAC2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one
SMILESCCNC1c2ccccc2CC1Sc1nccc(=O)[nH]1
InChIInChI=1S/C15H17N3OS/c1-2-16-14-11-6-4-3-5-10(11)9-12(14)20-15-17-8-7-13(19)18-15/h3-8,12,14,16H,2,9H2,1H3,(H,17,18,19)
InChIKeyPHOLZXVHSBRMTF-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.14
Rot. Bonds4

About 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one

2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one (PubChem CID 64611334) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one
PubChem CID64611334
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one
SMILESCCNC1c2ccccc2CC1Sc1nccc(=O)[nH]1
InChIInChI=1S/C15H17N3OS/c1-2-16-14-11-6-4-3-5-10(11)9-12(14)20-15-17-8-7-13(19)18-15/h3-8,12,14,16H,2,9H2,1H3,(H,17,18,19)
InChIKeyPHOLZXVHSBRMTF-UHFFFAOYSA-N
XLogP2.14
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

N-ethyl-2-(4-methylphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64619862
N-ethyl-2-(4-methoxyphenyl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64620538
N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64627978
N-propyl-2-pyrazin-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64626428
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927305
2-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-pyrimidin-6-one
CID 64905285
6-(1H-imidazol-2-ylsulfanyl)-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107784035
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
N-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64634656
2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62917722
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64628649
3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol
CID 66136675

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one (CID 64611334) is 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one is CCNC1c2ccccc2CC1Sc1nccc(=O)[nH]1.
What is the InChIKey of 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one?
The InChIKey is PHOLZXVHSBRMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-16-14-11-6-4-3-5-10(11)9-12(14)20-15-17-8-7-13(19)18-15/h3-8,12,14,16H,2,9H2,1H3,(H,17,18,19).
What are the key properties of 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one?
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one has a molecular weight of 287.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 64611334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).