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

C14H20N2O3 — CID 106825746

IUPAC2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCC(CO)CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H20N2O3/c17-8-9-1-5-11(6-2-9)19-13-7-12(18)15-14(16-13)10-3-4-10/h7,9-11,17H,1-6,8H2,(H,15,16,18)
InChIKeyPUINPNLKDYHLNG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.58
Rot. Bonds4

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

2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one (PubChem CID 106825746) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
PubChem CID106825746
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCC(CO)CC2)nc(C2CC2)[nH]1
InChIInChI=1S/C14H20N2O3/c17-8-9-1-5-11(6-2-9)19-13-7-12(18)15-14(16-13)10-3-4-10/h7,9-11,17H,1-6,8H2,(H,15,16,18)
InChIKeyPUINPNLKDYHLNG-UHFFFAOYSA-N
XLogP1.58
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586401
4-(2-aminocycloheptyl)oxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586583
2-cyclopropyl-4-(2-methylbutan-2-yloxy)-1H-pyrimidin-6-one
CID 103240480
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733
2-cyclopropyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241188
2-cyclopropyl-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
CID 103241636
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137009734
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240401
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-cyclopropyl-1H-pyrimidin-6-one
CID 114586522
4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240537

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one (CID 106825746) is 2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one is O=c1cc(OC2CCC(CO)CC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
The InChIKey is PUINPNLKDYHLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-8-9-1-5-11(6-2-9)19-13-7-12(18)15-14(16-13)10-3-4-10/h7,9-11,17H,1-6,8H2,(H,15,16,18).
What are the key properties of 2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one has a molecular weight of 264.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 106825746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).