ethane;pyrimidin-2-ylmethanol

C7H12N2O — CID 143639944

IUPACethane;pyrimidin-2-ylmethanol
SMILESCC.OCc1ncccn1
InChIInChI=1S/C5H6N2O.C2H6/c8-4-5-6-2-1-3-7-5;1-2/h1-3,8H,4H2;1-2H3
InChIKeyFDFYSCLGQUQVGC-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.00
Rot. Bonds1

About ethane;pyrimidin-2-ylmethanol

ethane;pyrimidin-2-ylmethanol (PubChem CID 143639944) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is ethane;pyrimidin-2-ylmethanol.

Molecular Properties

Compound Nameethane;pyrimidin-2-ylmethanol
PubChem CID143639944
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Nameethane;pyrimidin-2-ylmethanol
SMILESCC.OCc1ncccn1
InChIInChI=1S/C5H6N2O.C2H6/c8-4-5-6-2-1-3-7-5;1-2/h1-3,8H,4H2;1-2H3
InChIKeyFDFYSCLGQUQVGC-UHFFFAOYSA-N
XLogP1.00
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;pyrimidin-2-ylmethanol?
The IUPAC name of ethane;pyrimidin-2-ylmethanol (CID 143639944) is ethane;pyrimidin-2-ylmethanol.
What is the SMILES notation for ethane;pyrimidin-2-ylmethanol?
The canonical SMILES for ethane;pyrimidin-2-ylmethanol is CC.OCc1ncccn1.
What is the InChIKey of ethane;pyrimidin-2-ylmethanol?
The InChIKey is FDFYSCLGQUQVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C2H6/c8-4-5-6-2-1-3-7-5;1-2/h1-3,8H,4H2;1-2H3.
What are the key properties of ethane;pyrimidin-2-ylmethanol?
ethane;pyrimidin-2-ylmethanol has a molecular weight of 140.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrimidin-2-ylmethanol is sourced from PubChem (CID 143639944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).