(4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol

C13H20N2O2 — CID 114215293

IUPAC(4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol
SMILESCc1ncc(CO)c(OC2CCCCCC2)n1
InChIInChI=1S/C13H20N2O2/c1-10-14-8-11(9-16)13(15-10)17-12-6-4-2-3-5-7-12/h8,12,16H,2-7,9H2,1H3
InChIKeyWEEVUOWVLZOAPO-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.38
Rot. Bonds3

About (4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol

(4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol (PubChem CID 114215293) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol
PubChem CID114215293
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol
SMILESCc1ncc(CO)c(OC2CCCCCC2)n1
InChIInChI=1S/C13H20N2O2/c1-10-14-8-11(9-16)13(15-10)17-12-6-4-2-3-5-7-12/h8,12,16H,2-7,9H2,1H3
InChIKeyWEEVUOWVLZOAPO-UHFFFAOYSA-N
XLogP2.38
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol?
The IUPAC name of (4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol (CID 114215293) is (4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol.
What is the SMILES notation for (4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol?
The canonical SMILES for (4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol is Cc1ncc(CO)c(OC2CCCCCC2)n1.
What is the InChIKey of (4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol?
The InChIKey is WEEVUOWVLZOAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-14-8-11(9-16)13(15-10)17-12-6-4-2-3-5-7-12/h8,12,16H,2-7,9H2,1H3.
What are the key properties of (4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol?
(4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol has a molecular weight of 236.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol is sourced from PubChem (CID 114215293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).