2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one

C14H17N3OS — CID 135966772

IUPAC2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one
SMILESNC1(c2nc(-c3cccs3)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C14H17N3OS/c15-14(6-2-1-3-7-14)13-16-10(9-12(18)17-13)11-5-4-8-19-11/h4-5,8-9H,1-3,6-7,15H2,(H,16,17,18)
InChIKeyIGYYUFJQNLMCIA-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.62
Rot. Bonds2

About 2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one

2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 135966772) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID135966772
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one
SMILESNC1(c2nc(-c3cccs3)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C14H17N3OS/c15-14(6-2-1-3-7-14)13-16-10(9-12(18)17-13)11-5-4-8-19-11/h4-5,8-9H,1-3,6-7,15H2,(H,16,17,18)
InChIKeyIGYYUFJQNLMCIA-UHFFFAOYSA-N
XLogP2.62
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-(thiophen-2-YL)pyrimidin-4-OL
CID 135418928
2-(1-Aminocyclopentyl)-6-(thiophen-2-yl)-3,4-dihydropyrimidin-4-one
CID 135966771
2-piperidin-1-ium-3-yl-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 155929442
(4E)-2-(2-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 135516014
5-fluoro-4-methyl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 136228764
5-fluoro-4-methyl-2-(3-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 136228791
2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136673207
(4E)-2-(3-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136893142
(4E)-2-(4-fluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136893143
(4E)-2-[(4-fluorophenyl)methyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136893156
(4E)-2-(3,4-difluorophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136893179
(4Z)-4-[(2-fluorophenyl)methylidene]-2-thiophen-2-yl-1H-imidazol-5-one
CID 136893568

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one (CID 135966772) is 2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one is NC1(c2nc(-c3cccs3)cc(=O)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is IGYYUFJQNLMCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-14(6-2-1-3-7-14)13-16-10(9-12(18)17-13)11-5-4-8-19-11/h4-5,8-9H,1-3,6-7,15H2,(H,16,17,18).
What are the key properties of 2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one?
2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 275.38 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-4-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135966772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).