4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one

C14H22N2O3 — CID 106825901

IUPAC4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCC(CO)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H22N2O3/c1-9(2)14-15-12(18)7-13(16-14)19-11-5-3-10(8-17)4-6-11/h7,9-11,17H,3-6,8H2,1-2H3,(H,15,16,18)
InChIKeyBAWXNIJNYDGFGX-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.82
Rot. Bonds4

About 4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one

4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 106825901) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID106825901
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CCC(CO)CC2)cc(=O)[nH]1
InChIInChI=1S/C14H22N2O3/c1-9(2)14-15-12(18)7-13(16-14)19-11-5-3-10(8-17)4-6-11/h7,9-11,17H,3-6,8H2,1-2H3,(H,15,16,18)
InChIKeyBAWXNIJNYDGFGX-UHFFFAOYSA-N
XLogP1.82
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 106825901) is 4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OC2CCC(CO)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BAWXNIJNYDGFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(2)14-15-12(18)7-13(16-14)19-11-5-3-10(8-17)4-6-11/h7,9-11,17H,3-6,8H2,1-2H3,(H,15,16,18).
What are the key properties of 4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 106825901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).