5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

C13H21N3O2 — CID 136794530

IUPAC5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(C)CCCCC2)nc[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-13(6-4-3-5-7-13)8-14-11-10(18-2)12(17)16-9-15-11/h9H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyOUMSTNNYRASFGM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.16
Rot. Bonds4

About 5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136794530) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136794530
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC2(C)CCCCC2)nc[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-13(6-4-3-5-7-13)8-14-11-10(18-2)12(17)16-9-15-11/h9H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyOUMSTNNYRASFGM-UHFFFAOYSA-N
XLogP2.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723599
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812
4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136742758
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472
5-methoxy-4-[(1-methylsulfanylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136762611
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786656
5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825674
4-[(1-amino-4,4-dimethylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136848634

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136794530) is 5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is COc1c(NCC2(C)CCCCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is OUMSTNNYRASFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(6-4-3-5-7-13)8-14-11-10(18-2)12(17)16-9-15-11/h9H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136794530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).