4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one

C12H19N3O2 — CID 114586573

IUPAC4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CCCC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-10-14-11(16)7-12(15-10)17-9-5-3-4-8(13)6-9/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyQSZIRSGJDSGGEP-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.98
Rot. Bonds3

About 4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one

4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one (PubChem CID 114586573) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one
PubChem CID114586573
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CCCC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-10-14-11(16)7-12(15-10)17-9-5-3-4-8(13)6-9/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyQSZIRSGJDSGGEP-UHFFFAOYSA-N
XLogP0.98
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.98
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-propan-2-yl-1H-pyrimidin-6-one
CID 102729342
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-ethyl-1H-pyrimidin-6-one
CID 103240537
2-ethyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604865
2-methyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604867
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-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604904
2-methyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 113718780

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one (CID 114586573) is 4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OC2CCCC(N)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is QSZIRSGJDSGGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-10-14-11(16)7-12(15-10)17-9-5-3-4-8(13)6-9/h7-9H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of 4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one?
4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).