5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one

C12H20N4O2 — CID 136975758

IUPAC5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCOC2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c13-10-11(15-8-16-12(10)17)14-6-7-18-9-4-2-1-3-5-9/h8-9H,1-7,13H2,(H2,14,15,16,17)
InChIKeyDAYLHJXPIYLCBP-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.11
Rot. Bonds5

About 5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one

5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136975758) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one
PubChem CID136975758
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCOC2CCCCC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c13-10-11(15-8-16-12(10)17)14-6-7-18-9-4-2-1-3-5-9/h8-9H,1-7,13H2,(H2,14,15,16,17)
InChIKeyDAYLHJXPIYLCBP-UHFFFAOYSA-N
XLogP1.11
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634382
5-amino-4-(2-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 114586603
5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754604
5-amino-4-[(2-methyloxan-4-yl)amino]-1H-pyrimidin-6-one
CID 136857175
4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one
CID 136956677
5-amino-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136973989
5-amino-4-[2-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136974509
5-amino-4-(2-butoxyethylamino)-1H-pyrimidin-6-one
CID 136974561
5-amino-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136975034
5-amino-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136975352
5-amino-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
CID 136975696
5-amino-4-(2-cyclopentyloxyethylamino)-1H-pyrimidin-6-one
CID 136975753

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one (CID 136975758) is 5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one is Nc1c(NCCOC2CCCCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is DAYLHJXPIYLCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-10-11(15-8-16-12(10)17)14-6-7-18-9-4-2-1-3-5-9/h8-9H,1-7,13H2,(H2,14,15,16,17).
What are the key properties of 5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-cyclohexyloxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136975758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).