5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine

C11H16N2 — CID 126593522

IUPAC5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine
SMILESC=C1NC=NC(C(=C)C(C)C)=C1C
InChIInChI=1S/C11H16N2/c1-7(2)8(3)11-9(4)10(5)12-6-13-11/h6-7H,3,5H2,1-2,4H3,(H,12,13)
InChIKeyWUUBBZVCRCJOCX-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.62
Rot. Bonds2

About 5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine

5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine (PubChem CID 126593522) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine
PubChem CID126593522
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine
SMILESC=C1NC=NC(C(=C)C(C)C)=C1C
InChIInChI=1S/C11H16N2/c1-7(2)8(3)11-9(4)10(5)12-6-13-11/h6-7H,3,5H2,1-2,4H3,(H,12,13)
InChIKeyWUUBBZVCRCJOCX-UHFFFAOYSA-N
XLogP2.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine?
The IUPAC name of 5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine (CID 126593522) is 5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine.
What is the SMILES notation for 5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine?
The canonical SMILES for 5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine is C=C1NC=NC(C(=C)C(C)C)=C1C.
What is the InChIKey of 5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine?
The InChIKey is WUUBBZVCRCJOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-7(2)8(3)11-9(4)10(5)12-6-13-11/h6-7H,3,5H2,1-2,4H3,(H,12,13).
What are the key properties of 5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine?
5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine has a molecular weight of 176.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine is sourced from PubChem (CID 126593522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).