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

C11H17N3O2 — CID 114586578

IUPAC4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCCC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-13-10(15)6-11(14-7)16-9-4-2-3-8(12)5-9/h6,8-9H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyIVKYWHIPUSYYQD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.73
Rot. Bonds2

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

4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 114586578) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
PubChem CID114586578
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCCC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-13-10(15)6-11(14-7)16-9-4-2-3-8(12)5-9/h6,8-9H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyIVKYWHIPUSYYQD-UHFFFAOYSA-N
XLogP0.73
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-methyl-1H-pyrimidin-6-one
CID 103240535
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-methyl-1H-pyrimidin-6-one
CID 113604902
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
2-ethyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 113718782
4-(4-aminocyclohexyl)oxy-2-ethyl-1H-pyrimidin-6-one
CID 113729397
4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one
CID 114586569
4-(3-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 114586572

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one (CID 114586578) is 4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(OC2CCCC(N)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is IVKYWHIPUSYYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-13-10(15)6-11(14-7)16-9-4-2-3-8(12)5-9/h6,8-9H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one?
4-(3-aminocyclohexyl)oxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.73, 2 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).