5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine

C11H18N2 — CID 143681586

IUPAC5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine
SMILESC=C1NC(C)=NC(C)=C1CCCC
InChIInChI=1S/C11H18N2/c1-5-6-7-11-8(2)12-10(4)13-9(11)3/h2,5-7H2,1,3-4H3,(H,12,13)
InChIKeyXLRGVDRWATYVHW-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.99
Rot. Bonds3

About 5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine

5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine (PubChem CID 143681586) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine.

Molecular Properties

Compound Name5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine
PubChem CID143681586
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine
SMILESC=C1NC(C)=NC(C)=C1CCCC
InChIInChI=1S/C11H18N2/c1-5-6-7-11-8(2)12-10(4)13-9(11)3/h2,5-7H2,1,3-4H3,(H,12,13)
InChIKeyXLRGVDRWATYVHW-UHFFFAOYSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91507278
2-methyl-8-methylidene-7-nona-3,6,8-trienyl-4-propyl-4,5-dihydro-1H-1,3-diazocine
CID 123682734
2,6-Dimethyl-4-methylidene-3,5,6,7-tetrahydrocyclopenta[d]pyrimidine
CID 126586803
N-[(Z)-1-(cyclopenten-1-yl)prop-1-enyl]-N'-methylethanimidamide
CID 134424189
N'-buta-1,3-dien-2-yl-N-[(E)-4-methylidenehept-2-en-2-yl]ethanimidamide
CID 139305358
2-methyl-8,9-dihydro-1H-perimidine-6,7-diamine
CID 144243955
(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane
CID 144563445
ethane;(5E,6E)-5-ethylidene-2,4,4-trimethyl-6-propylidene-1H-pyrimidine
CID 144633934
(5E,6E)-5,6-di(ethylidene)-2,4,4-trimethyl-1H-pyrimidine;ethane
CID 144634167
ethane;(5E,6E)-6-ethylidene-2,4,4-trimethyl-5-propylidene-1H-pyrimidine
CID 145019362
N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine
CID 145232194
2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1H-pyrimidine;ethane;3-ethenyl-2,4-dimethylpenta-1,3-diene
CID 145287244

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine?
The IUPAC name of 5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine (CID 143681586) is 5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine.
What is the SMILES notation for 5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine?
The canonical SMILES for 5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine is C=C1NC(C)=NC(C)=C1CCCC.
What is the InChIKey of 5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine?
The InChIKey is XLRGVDRWATYVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-6-7-11-8(2)12-10(4)13-9(11)3/h2,5-7H2,1,3-4H3,(H,12,13).
What are the key properties of 5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine?
5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2,4-dimethyl-6-methylidene-1H-pyrimidine is sourced from PubChem (CID 143681586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).