2-methylpyrimidine;1-methylpyrrole

C10H13N3 — CID 19371858

IUPAC2-methylpyrimidine;1-methylpyrrole
SMILESCc1ncccn1.Cn1cccc1
InChIInChI=1S/C5H6N2.C5H7N/c1-5-6-3-2-4-7-5;1-6-4-2-3-5-6/h2-4H,1H3;2-5H,1H3
InChIKeyZDLLOHLYHDAXSI-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.81
Rot. Bonds

About 2-methylpyrimidine;1-methylpyrrole

2-methylpyrimidine;1-methylpyrrole (PubChem CID 19371858) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-methylpyrimidine;1-methylpyrrole.

Molecular Properties

Compound Name2-methylpyrimidine;1-methylpyrrole
PubChem CID19371858
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-methylpyrimidine;1-methylpyrrole
SMILESCc1ncccn1.Cn1cccc1
InChIInChI=1S/C5H6N2.C5H7N/c1-5-6-3-2-4-7-5;1-6-4-2-3-5-6/h2-4H,1H3;2-5H,1H3
InChIKeyZDLLOHLYHDAXSI-UHFFFAOYSA-N
XLogP1.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrimidine;1-methylpyrrole?
The IUPAC name of 2-methylpyrimidine;1-methylpyrrole (CID 19371858) is 2-methylpyrimidine;1-methylpyrrole.
What is the SMILES notation for 2-methylpyrimidine;1-methylpyrrole?
The canonical SMILES for 2-methylpyrimidine;1-methylpyrrole is Cc1ncccn1.Cn1cccc1.
What is the InChIKey of 2-methylpyrimidine;1-methylpyrrole?
The InChIKey is ZDLLOHLYHDAXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C5H7N/c1-5-6-3-2-4-7-5;1-6-4-2-3-5-6/h2-4H,1H3;2-5H,1H3.
What are the key properties of 2-methylpyrimidine;1-methylpyrrole?
2-methylpyrimidine;1-methylpyrrole has a molecular weight of 175.23 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrimidine;1-methylpyrrole is sourced from PubChem (CID 19371858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).