5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one

C11H17N3O2 — CID 103241604

IUPAC5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c12-9-10(15)13-7-14-11(9)16-6-8-4-2-1-3-5-8/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyKCAZEQJQXGNXNG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.31
Rot. Bonds3

About 5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one

5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one (PubChem CID 103241604) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one
PubChem CID103241604
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c12-9-10(15)13-7-14-11(9)16-6-8-4-2-1-3-5-8/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyKCAZEQJQXGNXNG-UHFFFAOYSA-N
XLogP1.31
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Cyclohexylmethoxy)pyrimidin-4-ol
CID 103241610
5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
5-amino-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240411
5-amino-4-heptoxy-1H-pyrimidin-6-one
CID 103240420
5-amino-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240460
5-amino-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240470
5-amino-4-hexoxy-1H-pyrimidin-6-one
CID 103240490
5-amino-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240511
5-amino-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240629
5-amino-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240639
5-amino-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240651
5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one
CID 103241365

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one (CID 103241604) is 5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one is Nc1c(OCC2CCCCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is KCAZEQJQXGNXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-9-10(15)13-7-14-11(9)16-6-8-4-2-1-3-5-8/h7-8H,1-6,12H2,(H,13,14,15).
What are the key properties of 5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one?
5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).