ethane;2-methyl-5-pyridin-4-ylpyrimidine

C12H15N3 — CID 144571989

IUPACethane;2-methyl-5-pyridin-4-ylpyrimidine
SMILESCC.Cc1ncc(-c2ccncc2)cn1
InChIInChI=1S/C10H9N3.C2H6/c1-8-12-6-10(7-13-8)9-2-4-11-5-3-9;1-2/h2-7H,1H3;1-2H3
InChIKeyJOFNCYXOPDZBMQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.87
Rot. Bonds1

About ethane;2-methyl-5-pyridin-4-ylpyrimidine

ethane;2-methyl-5-pyridin-4-ylpyrimidine (PubChem CID 144571989) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethane;2-methyl-5-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Nameethane;2-methyl-5-pyridin-4-ylpyrimidine
PubChem CID144571989
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Nameethane;2-methyl-5-pyridin-4-ylpyrimidine
SMILESCC.Cc1ncc(-c2ccncc2)cn1
InChIInChI=1S/C10H9N3.C2H6/c1-8-12-6-10(7-13-8)9-2-4-11-5-3-9;1-2/h2-7H,1H3;1-2H3
InChIKeyJOFNCYXOPDZBMQ-UHFFFAOYSA-N
XLogP2.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-pyridin-4-ylpyrimidine?
The IUPAC name of ethane;2-methyl-5-pyridin-4-ylpyrimidine (CID 144571989) is ethane;2-methyl-5-pyridin-4-ylpyrimidine.
What is the SMILES notation for ethane;2-methyl-5-pyridin-4-ylpyrimidine?
The canonical SMILES for ethane;2-methyl-5-pyridin-4-ylpyrimidine is CC.Cc1ncc(-c2ccncc2)cn1.
What is the InChIKey of ethane;2-methyl-5-pyridin-4-ylpyrimidine?
The InChIKey is JOFNCYXOPDZBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3.C2H6/c1-8-12-6-10(7-13-8)9-2-4-11-5-3-9;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-5-pyridin-4-ylpyrimidine?
ethane;2-methyl-5-pyridin-4-ylpyrimidine has a molecular weight of 201.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-pyridin-4-ylpyrimidine is sourced from PubChem (CID 144571989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).