4-methyl-2-[(E)-prop-1-enyl]pyrimidine

C8H10N2 — CID 56977910

IUPAC4-methyl-2-[(E)-prop-1-enyl]pyrimidine
SMILESC/C=C/c1nccc(C)n1
InChIInChI=1S/C8H10N2/c1-3-4-8-9-6-5-7(2)10-8/h3-6H,1-2H3/b4-3+
InChIKeyYMTKGKNULLPISA-ONEGZZNKSA-N
MW134.18 g/mol
LogP1.82
Rot. Bonds1

About 4-methyl-2-[(E)-prop-1-enyl]pyrimidine

4-methyl-2-[(E)-prop-1-enyl]pyrimidine (PubChem CID 56977910) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 4-methyl-2-[(E)-prop-1-enyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(E)-prop-1-enyl]pyrimidine
PubChem CID56977910
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name4-methyl-2-[(E)-prop-1-enyl]pyrimidine
SMILESC/C=C/c1nccc(C)n1
InChIInChI=1S/C8H10N2/c1-3-4-8-9-6-5-7(2)10-8/h3-6H,1-2H3/b4-3+
InChIKeyYMTKGKNULLPISA-ONEGZZNKSA-N
XLogP1.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-prop-1-enyl]pyrimidine?
The IUPAC name of 4-methyl-2-[(E)-prop-1-enyl]pyrimidine (CID 56977910) is 4-methyl-2-[(E)-prop-1-enyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(E)-prop-1-enyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(E)-prop-1-enyl]pyrimidine is C/C=C/c1nccc(C)n1.
What is the InChIKey of 4-methyl-2-[(E)-prop-1-enyl]pyrimidine?
The InChIKey is YMTKGKNULLPISA-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-4-8-9-6-5-7(2)10-8/h3-6H,1-2H3/b4-3+.
What are the key properties of 4-methyl-2-[(E)-prop-1-enyl]pyrimidine?
4-methyl-2-[(E)-prop-1-enyl]pyrimidine has a molecular weight of 134.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-prop-1-enyl]pyrimidine is sourced from PubChem (CID 56977910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).