(2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine

C12H17BrN2 — CID 176942070

IUPAC(2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine
SMILESCCC(C)=C/C(Br)=C1/N=C(C)C=CN1C
InChIInChI=1S/C12H17BrN2/c1-5-9(2)8-11(13)12-14-10(3)6-7-15(12)4/h6-8H,5H2,1-4H3/b9-8?,12-11+
InChIKeyDLIRWKCIAMATLY-XTYCYPIRSA-N
MW269.19 g/mol
LogP3.83
Rot. Bonds2

About (2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine

(2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine (PubChem CID 176942070) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is (2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine.

Molecular Properties

Compound Name(2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine
PubChem CID176942070
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name(2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine
SMILESCCC(C)=C/C(Br)=C1/N=C(C)C=CN1C
InChIInChI=1S/C12H17BrN2/c1-5-9(2)8-11(13)12-14-10(3)6-7-15(12)4/h6-8H,5H2,1-4H3/b9-8?,12-11+
InChIKeyDLIRWKCIAMATLY-XTYCYPIRSA-N
XLogP3.83
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[(4-propylidene-1-pyridinyl)methyl]pyridin-4-imine
CID 20796100
N-methyl-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine
CID 53800904
6-bromo-3-methyl-2H-quinazoline
CID 141185520
4-[(1E)-1-bromobuta-1,3-dienyl]-1-methyl-2H-pyrimidine
CID 143981063
(2Z)-1-ethenyl-4,6-dimethyl-2-(3-methylbut-3-en-2-ylidene)pyrimidine
CID 169871358
(2E)-2-(2-bromo-3-methylpent-2-enylidene)-1,4,6-trimethylpyrimidine;ethane
CID 172266298
6-bromo-3,5-dimethyl-2H-quinazoline
CID 172787863
(2E)-2-(2-bromo-3-methylpent-2-enylidene)-1,4,6-trimethylpyrimidine
CID 172266299

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine?
The IUPAC name of (2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine (CID 176942070) is (2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine.
What is the SMILES notation for (2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine?
The canonical SMILES for (2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine is CCC(C)=C/C(Br)=C1/N=C(C)C=CN1C.
What is the InChIKey of (2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine?
The InChIKey is DLIRWKCIAMATLY-XTYCYPIRSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-5-9(2)8-11(13)12-14-10(3)6-7-15(12)4/h6-8H,5H2,1-4H3/b9-8?,12-11+.
What are the key properties of (2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine?
(2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine has a molecular weight of 269.19 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-bromo-3-methylpent-2-enylidene)-1,4-dimethylpyrimidine is sourced from PubChem (CID 176942070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).