2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one

C10H15N3OS — CID 62807418

IUPAC2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one
SMILESNC1CCC(Sc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C10H15N3OS/c11-7-1-3-8(4-2-7)15-10-12-6-5-9(14)13-10/h5-8H,1-4,11H2,(H,12,13,14)
InChIKeyLBYZKFQWTLOBNP-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.13
Rot. Bonds2

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

2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 62807418) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID62807418
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one
SMILESNC1CCC(Sc2nccc(=O)[nH]2)CC1
InChIInChI=1S/C10H15N3OS/c11-7-1-3-8(4-2-7)15-10-12-6-5-9(14)13-10/h5-8H,1-4,11H2,(H,12,13,14)
InChIKeyLBYZKFQWTLOBNP-UHFFFAOYSA-N
XLogP1.13
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one (CID 62807418) is 2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one is NC1CCC(Sc2nccc(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is LBYZKFQWTLOBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c11-7-1-3-8(4-2-7)15-10-12-6-5-9(14)13-10/h5-8H,1-4,11H2,(H,12,13,14).
What are the key properties of 2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one?
2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 225.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 62807418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).