2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C15H24N2O3 — CID 116745179

IUPAC2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)c(C(C)C)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C15H24N2O3/c1-9(2)11-14(18)16-13(17-15(11)19)12(20-3)10-7-5-4-6-8-10/h9-10,12H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyQSCPPALAGFYOIG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.87
Rot. Bonds4

About 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 116745179) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID116745179
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)c(C(C)C)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C15H24N2O3/c1-9(2)11-14(18)16-13(17-15(11)19)12(20-3)10-7-5-4-6-8-10/h9-10,12H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyQSCPPALAGFYOIG-UHFFFAOYSA-N
XLogP2.87
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691642
4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80691793
4-hydroxy-2-(5-methyloxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 82836726
5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 112569323
4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113391198
4-hydroxy-2-(1-methoxybutyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113554618
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540
5-ethyl-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705691
2-[cyclopropyl(methoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 116705693

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 116745179) is 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is COC(c1nc(O)c(C(C)C)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is QSCPPALAGFYOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9(2)11-14(18)16-13(17-15(11)19)12(20-3)10-7-5-4-6-8-10/h9-10,12H,4-8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).