(1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone

C12H16N2O2 — CID 103450168

IUPAC(1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)C1(O)CCCCCC1
InChIInChI=1S/C12H16N2O2/c15-11(10-7-13-9-14-8-10)12(16)5-3-1-2-4-6-12/h7-9,16H,1-6H2
InChIKeyRPORLLLEJRFQNC-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.74
Rot. Bonds2

About (1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone

(1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone (PubChem CID 103450168) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone
PubChem CID103450168
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)C1(O)CCCCCC1
InChIInChI=1S/C12H16N2O2/c15-11(10-7-13-9-14-8-10)12(16)5-3-1-2-4-6-12/h7-9,16H,1-6H2
InChIKeyRPORLLLEJRFQNC-UHFFFAOYSA-N
XLogP1.74
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone?
The IUPAC name of (1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone (CID 103450168) is (1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone is O=C(c1cncnc1)C1(O)CCCCCC1.
What is the InChIKey of (1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone?
The InChIKey is RPORLLLEJRFQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11(10-7-13-9-14-8-10)12(16)5-3-1-2-4-6-12/h7-9,16H,1-6H2.
What are the key properties of (1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone?
(1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone has a molecular weight of 220.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycycloheptyl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 103450168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).