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

C15H24N2O3 — CID 116745160

IUPAC2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(OC)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C15H24N2O3/c1-3-7-11-14(18)16-13(17-15(11)19)12(20-2)10-8-5-4-6-9-10/h10,12H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyLEXOSFNZUKPAOO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.70
Rot. Bonds5

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

2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 116745160) 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-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID116745160
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(OC)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C15H24N2O3/c1-3-7-11-14(18)16-13(17-15(11)19)12(20-2)10-8-5-4-6-9-10/h10,12H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyLEXOSFNZUKPAOO-UHFFFAOYSA-N
XLogP2.70
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(2-methyloxan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80691643
4-hydroxy-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 104249131
5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 112569323
5-cyclopentyl-2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 112569385
5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 112569400
4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113391198
2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 113554615
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 113554616
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 116745160) is 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C(OC)C2CCCCC2)[nH]c1=O.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is LEXOSFNZUKPAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-7-11-14(18)16-13(17-15(11)19)12(20-2)10-8-5-4-6-9-10/h10,12H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-[cyclohexyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 280.37 g/mol, XLogP of 2.70, 5 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-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).