5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one

C13H21N3O2 — CID 114207019

IUPAC5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(N)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-2-18-11(9-6-4-3-5-7-9)12-15-8-10(14)13(17)16-12/h8-9,11H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyPMQIMLCDESGQEW-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.01
Rot. Bonds4

About 5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one

5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 114207019) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
PubChem CID114207019
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOC(c1ncc(N)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-2-18-11(9-6-4-3-5-7-9)12-15-8-10(14)13(17)16-12/h8-9,11H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyPMQIMLCDESGQEW-UHFFFAOYSA-N
XLogP2.01
TPSA81.00 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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963825
2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 113559510
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531
2-[cyclohexyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 113559578
5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114206995
5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114207002
5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 114207018
2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744925
2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116744929
5-bromo-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116745480
5-bromo-2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116745492
2-[cyclohexyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 116745508

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one (CID 114207019) is 5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one is CCOC(c1ncc(N)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is PMQIMLCDESGQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-18-11(9-6-4-3-5-7-9)12-15-8-10(14)13(17)16-12/h8-9,11H,2-7,14H2,1H3,(H,15,16,17).
What are the key properties of 5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one?
5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 114207019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).