5-but-2-enylidene-4-methyl-4H-pyrimidine

C9H12N2 — CID 123720032

IUPAC5-but-2-enylidene-4-methyl-4H-pyrimidine
SMILESCC=CC=C1C=NC=NC1C
InChIInChI=1S/C9H12N2/c1-3-4-5-9-6-10-7-11-8(9)2/h3-8H,1-2H3
InChIKeyQEDRMRPAKSQGJN-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.99
Rot. Bonds1

About 5-but-2-enylidene-4-methyl-4H-pyrimidine

5-but-2-enylidene-4-methyl-4H-pyrimidine (PubChem CID 123720032) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-but-2-enylidene-4-methyl-4H-pyrimidine.

Molecular Properties

Compound Name5-but-2-enylidene-4-methyl-4H-pyrimidine
PubChem CID123720032
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name5-but-2-enylidene-4-methyl-4H-pyrimidine
SMILESCC=CC=C1C=NC=NC1C
InChIInChI=1S/C9H12N2/c1-3-4-5-9-6-10-7-11-8(9)2/h3-8H,1-2H3
InChIKeyQEDRMRPAKSQGJN-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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(5E)-5-[(Z)-but-2-enylidene]-4-propan-2-ylidenepyrimidine
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Frequently Asked Questions

What is the IUPAC name of 5-but-2-enylidene-4-methyl-4H-pyrimidine?
The IUPAC name of 5-but-2-enylidene-4-methyl-4H-pyrimidine (CID 123720032) is 5-but-2-enylidene-4-methyl-4H-pyrimidine.
What is the SMILES notation for 5-but-2-enylidene-4-methyl-4H-pyrimidine?
The canonical SMILES for 5-but-2-enylidene-4-methyl-4H-pyrimidine is CC=CC=C1C=NC=NC1C.
What is the InChIKey of 5-but-2-enylidene-4-methyl-4H-pyrimidine?
The InChIKey is QEDRMRPAKSQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-4-5-9-6-10-7-11-8(9)2/h3-8H,1-2H3.
What are the key properties of 5-but-2-enylidene-4-methyl-4H-pyrimidine?
5-but-2-enylidene-4-methyl-4H-pyrimidine has a molecular weight of 148.21 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-enylidene-4-methyl-4H-pyrimidine is sourced from PubChem (CID 123720032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).