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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Related Compounds

5,6-Di(propan-2-yl)-1,4-dihydropyrimidine
CID 60071327
6-methylidene-4,5-di(propan-2-yl)-1H-pyrimidine
CID 60125687
6-methylidene-4,5-di(propan-2-yl)-1H-pyrimidin-2-amine
CID 68238807
1-Methyl-6-methylidene-4,5-di(propan-2-yl)pyrimidine
CID 68238808
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
CID 123963482
4-methyl-4,6-di(propan-2-yl)-1H-pyrimidine
CID 130311140
8-Methyl-1,4,7,8-tetrahydroquinazoline
CID 135245104
N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide
CID 142041082
4-methyl-6-methylidene-5-[(Z)-prop-1-enyl]-1H-pyrimidine
CID 142610554
(5Z,6E)-5-butylidene-6-ethylidene-1,4-dihydropyrimidine;ethane
CID 143195748

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).