5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one

C12H19N3O3 — CID 102634780

IUPAC5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESCNC1CCCCC1Oc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H19N3O3/c1-13-8-5-3-4-6-9(8)18-12-10(17-2)11(16)14-7-15-12/h7-9,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyRZADRCQJOVUUOE-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.69
Rot. Bonds4

About 5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one

5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one (PubChem CID 102634780) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
PubChem CID102634780
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESCNC1CCCCC1Oc1nc[nH]c(=O)c1OC
InChIInChI=1S/C12H19N3O3/c1-13-8-5-3-4-6-9(8)18-12-10(17-2)11(16)14-7-15-12/h7-9,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyRZADRCQJOVUUOE-UHFFFAOYSA-N
XLogP0.69
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.69
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
5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634382
4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634633
5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634696
4-hexoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240492
4-cyclohexyloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240534
5-methoxy-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 103241406
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

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one (CID 102634780) is 5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one is CNC1CCCCC1Oc1nc[nH]c(=O)c1OC.
What is the InChIKey of 5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The InChIKey is RZADRCQJOVUUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-13-8-5-3-4-6-9(8)18-12-10(17-2)11(16)14-7-15-12/h7-9,13H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one has a molecular weight of 253.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102634780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).