5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one

C14H23N3O2 — CID 136975876

IUPAC5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCCC2CCCC(C)C2)nc[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-10-4-3-5-11(8-10)6-7-15-13-12(19-2)14(18)17-9-16-13/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyAUJZASHEXOZZHM-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.41
Rot. Bonds5

About 5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one

5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136975876) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136975876
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NCCC2CCCC(C)C2)nc[nH]c1=O
InChIInChI=1S/C14H23N3O2/c1-10-4-3-5-11(8-10)6-7-15-13-12(19-2)14(18)17-9-16-13/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyAUJZASHEXOZZHM-UHFFFAOYSA-N
XLogP2.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672016
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-[(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
5-methoxy-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786656
5-methoxy-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794530
5-methoxy-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825674
4-[(1-amino-4-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136848624
5-methoxy-4-[(3-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867389
5-methoxy-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867425

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one (CID 136975876) is 5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one is COc1c(NCCC2CCCC(C)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is AUJZASHEXOZZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-4-3-5-11(8-10)6-7-15-13-12(19-2)14(18)17-9-16-13/h9-11H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).