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

C13H19N3O2 — CID 102729381

IUPAC4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1CCC(Oc2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C13H19N3O2/c14-9-3-5-10(6-4-9)18-12-7-11(17)15-13(16-12)8-1-2-8/h7-10H,1-6,14H2,(H,15,16,17)
InChIKeyPBBPUNHRPKDQFQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.30
Rot. Bonds3

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

4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 102729381) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID102729381
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNC1CCC(Oc2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C13H19N3O2/c14-9-3-5-10(6-4-9)18-12-7-11(17)15-13(16-12)8-1-2-8/h7-10H,1-6,14H2,(H,15,16,17)
InChIKeyPBBPUNHRPKDQFQ-UHFFFAOYSA-N
XLogP1.30
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.30
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-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 103240532
4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240542
2-cyclopropyl-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 113604872
4-[3-(aminomethyl)cyclobutyl]oxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 113604895
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-aminocyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604904
2-ethyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 113718782

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one (CID 102729381) is 4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one is NC1CCC(Oc2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is PBBPUNHRPKDQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-9-3-5-10(6-4-9)18-12-7-11(17)15-13(16-12)8-1-2-8/h7-10H,1-6,14H2,(H,15,16,17).
What are the key properties of 4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one?
4-(4-aminocyclohexyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.30, 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-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 102729381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).