4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 114586575

IUPAC4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCCC(N)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-9-10(15)13-6-14-11(9)17-8-4-2-3-7(12)5-8/h6-8H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyOEAAJVFVPXHUDY-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.43
Rot. Bonds3

About 4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one

4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114586575) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID114586575
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCCC(N)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-9-10(15)13-6-14-11(9)17-8-4-2-3-7(12)5-8/h6-8H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyOEAAJVFVPXHUDY-UHFFFAOYSA-N
XLogP0.43
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminocycloheptyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 91021757
5-iodo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634366
4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634633
5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634780
4-cyclohexyloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240534
5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241699
5-methoxy-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604866
4-(4-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 113604877
4-(2-aminocycloheptyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 113604901
5-methoxy-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586420
4-(3-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 114586566
4-(3-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 114586572

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one (CID 114586575) is 4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one is COc1c(OC2CCCC(N)C2)nc[nH]c1=O.
What is the InChIKey of 4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is OEAAJVFVPXHUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-16-9-10(15)13-6-14-11(9)17-8-4-2-3-7(12)5-8/h6-8H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one?
4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).