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

C13H21N3O2 — CID 102729342

IUPAC4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCC(N)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)13-15-11(17)7-12(16-13)18-10-5-3-9(14)4-6-10/h7-10H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyWFXIYIHBJRRDBO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.54
Rot. Bonds3

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

4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 102729342) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID102729342
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCC(N)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)13-15-11(17)7-12(16-13)18-10-5-3-9(14)4-6-10/h7-10H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyWFXIYIHBJRRDBO-UHFFFAOYSA-N
XLogP1.54
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634235
2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634714
4-(4-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 102729350
4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 102729381
4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 103240532
4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240537
4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240542
2-ethyl-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604874
4-(3-aminocyclopentyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604898
4-(3-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604899
4-(2-aminocycloheptyl)oxy-2-ethyl-1H-pyrimidin-6-one
CID 113604900
4-(2-aminocyclopentyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604903

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 102729342) is 4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OC2CCC(N)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WFXIYIHBJRRDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)13-15-11(17)7-12(16-13)18-10-5-3-9(14)4-6-10/h7-10H,3-6,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 102729342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).